 Entering Gaussian System, Link 0=g16
 Input=36b_RhEn3-lel2ob_STD_LCPBE_augccpVDZ.in
 Output=36b_RhEn3-lel2ob_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/36b_RhEn3-lel2ob_STD/Gau-3730.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/36b_RhEn3-lel2ob_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      3731.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                18-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=36b_RhEn3-lel2ob_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P SP LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120,Tigh
 t) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=023600
 0000,3/108=0236000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131
 =-1) Pseudo=Read
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,16=1,17=8,25=1,30=1,36=2,74=1001009,75=-5,107=236000000,108=236000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Sun Jul 18 17:14:30 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     3
 TstMul:  Mul=     1
 TstMul:  ICh=     3
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "36b_RhEn3-lel2ob_STD_LCPBE_augccpVDZ.chk"
 Charge =  3 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -2.549130000000     -1.314427000000     -0.788263000000
  C                                                -2.489211000000     -1.476014000000      0.711136000000
  N                                                -1.044481000000     -1.454430000000      1.136257000000
  Rh                                               -0.000130000000      0.001194000000     -0.000069000000
  N                                                 0.979011000000     -1.499359000000     -1.135079000000
  C                                                 2.421772000000     -1.582914000000     -0.710906000000
  C                                                 2.489662000000     -1.422620000000      0.788334000000
  N                                                 1.765206000000     -0.157327000000      1.164490000000
  N                                                -1.771326000000     -0.081265000000     -1.164692000000
  N                                                 0.846355000000      1.588228000000     -1.125363000000
  C                                                 0.738354000000      2.867165000000     -0.338772000000
  H                                                 3.522736000000     -1.386984000000      1.135893000000
  H                                                 2.001302000000     -2.252121000000      1.300550000000
  H                                                 2.857264000000     -2.531090000000     -1.027803000000
  H                                                 2.968216000000     -0.788605000000     -1.220402000000
  H                                                -2.965540000000     -2.404079000000      1.028788000000
  H                                                -3.001107000000     -0.658112000000      1.219196000000
  H                                                -3.579527000000     -1.235079000000     -1.136554000000
  H                                                -2.096291000000     -2.164483000000     -1.299497000000
  H                                                -2.362756000000      0.735150000000     -1.010250000000
  H                                                -1.609574000000     -0.093550000000     -2.171636000000
  H                                                -0.655838000000     -2.389231000000      1.013613000000
  H                                                -1.001113000000     -1.293216000000      2.142374000000
  H                                                 0.550136000000     -2.416064000000     -1.010284000000
  H                                                 0.941873000000     -1.338186000000     -2.141433000000
  H                                                 2.390480000000      0.633399000000      1.009972000000
  H                                                 1.602819000000     -0.162719000000      2.171382000000
  C                                                -0.610551000000      2.897132000000      0.338045000000
  N                                                -0.774945000000      1.624430000000      1.124896000000
  H                                                 1.817285000000      1.452090000000     -1.405369000000
  H                                                 0.343548000000      1.706576000000     -2.005010000000
  H                                                 1.547070000000      2.884615000000      0.392932000000
  H                                                 0.872026000000      3.729136000000     -0.993286000000
  H                                                -0.705735000000      3.764310000000      0.992421000000
  H                                                -1.417928000000      2.950178000000     -0.393378000000
  H                                                -1.750811000000      1.531991000000      1.405639000000
  H                                                -0.266808000000      1.720469000000      2.004222000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     37 NQM=       37 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          14         103          14          12          12          14          14          14
 AtmWgt=  12.0000000  12.0000000  14.0030740 102.9048000  14.0030740  12.0000000  12.0000000  14.0030740  14.0030740  14.0030740
 NucSpn=           0           0           2           1           2           0           0           2           2           2
 AtZEff=   3.6000000   3.6000000   4.5500000 229.5000000   4.5500000   3.6000000   3.6000000   4.5500000   4.5500000   4.5500000
 NQMom=    0.0000000   0.0000000   2.0440000   0.0000000   2.0440000   0.0000000   0.0000000   2.0440000   2.0440000   2.0440000
 NMagM=    0.0000000   0.0000000   0.4037610  -0.0884000   0.4037610   0.0000000   0.0000000   0.4037610   0.4037610   0.4037610
 AtZNuc=   6.0000000   6.0000000   7.0000000  45.0000000   7.0000000   6.0000000   6.0000000   7.0000000   7.0000000   7.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1          12          14           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000  14.0030740   1.0078250
 NucSpn=           1           1           1           1           1           1           1           0           2           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   4.5500000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.4037610   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   7.0000000   1.0000000

  Atom        31          32          33          34          35          36          37
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Sun Jul 18 17:14:31 2021, MaxMem=  5637144576 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.549130   -1.314427   -0.788263
      2          6           0       -2.489211   -1.476014    0.711136
      3          7           0       -1.044481   -1.454430    1.136257
      4         45           0       -0.000130    0.001194   -0.000069
      5          7           0        0.979011   -1.499359   -1.135079
      6          6           0        2.421772   -1.582914   -0.710906
      7          6           0        2.489662   -1.422620    0.788334
      8          7           0        1.765206   -0.157327    1.164490
      9          7           0       -1.771326   -0.081265   -1.164692
     10          7           0        0.846355    1.588228   -1.125363
     11          6           0        0.738354    2.867165   -0.338772
     12          1           0        3.522736   -1.386984    1.135893
     13          1           0        2.001302   -2.252121    1.300550
     14          1           0        2.857264   -2.531090   -1.027803
     15          1           0        2.968216   -0.788605   -1.220402
     16          1           0       -2.965540   -2.404079    1.028788
     17          1           0       -3.001107   -0.658112    1.219196
     18          1           0       -3.579527   -1.235079   -1.136554
     19          1           0       -2.096291   -2.164483   -1.299497
     20          1           0       -2.362756    0.735150   -1.010250
     21          1           0       -1.609574   -0.093550   -2.171636
     22          1           0       -0.655838   -2.389231    1.013613
     23          1           0       -1.001113   -1.293216    2.142374
     24          1           0        0.550136   -2.416064   -1.010284
     25          1           0        0.941873   -1.338186   -2.141433
     26          1           0        2.390480    0.633399    1.009972
     27          1           0        1.602819   -0.162719    2.171382
     28          6           0       -0.610551    2.897132    0.338045
     29          7           0       -0.774945    1.624430    1.124896
     30          1           0        1.817285    1.452090   -1.405369
     31          1           0        0.343548    1.706576   -2.005010
     32          1           0        1.547070    2.884615    0.392932
     33          1           0        0.872026    3.729136   -0.993286
     34          1           0       -0.705735    3.764310    0.992421
     35          1           0       -1.417928    2.950178   -0.393378
     36          1           0       -1.750811    1.531991    1.405639
     37          1           0       -0.266808    1.720469    2.004222
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.509271   0.000000
     3  N    2.446906   1.506134   0.000000
     4  Rh   2.974812   2.980517   2.121496   0.000000
     5  N    3.549966   3.929074   3.042286   2.120996   0.000000
     6  C    4.978748   5.113842   3.929813   2.979983   1.506142
     7  C    5.280794   4.979758   3.551370   2.974540   2.446931
     8  N    4.874999   4.477112   3.094772   2.120787   2.776179
     9  N    1.505778   2.445284   2.776374   2.121387   3.094547
    10  N    4.479772   4.887567   4.236503   2.121674   3.090451
    11  C    5.338099   5.512049   4.902081   2.978904   4.445059
    12  H    6.369866   6.027591   4.567715   3.953231   3.411815
    13  H    5.094001   4.595047   3.152792   3.282494   2.746638
    14  H    5.546778   5.720305   4.589768   3.953909   2.145649
    15  H    5.559167   5.829827   4.700947   3.305159   2.114093
    16  H    2.159262   1.090457   2.145659   3.954433   4.589153
    17  H    2.159844   1.090471   2.114092   3.305625   4.700175
    18  H    1.090560   2.158888   3.411780   3.953739   4.566193
    19  H    1.090421   2.161254   2.746521   3.282158   3.150699
    20  H    2.069971   2.805068   3.337604   2.672295   4.021942
    21  H    2.070514   3.315923   3.621254   2.704624   3.122743
    22  H    2.826042   2.070438   1.019773   2.677991   2.842795
    23  H    3.314429   2.072750   1.019874   2.695835   3.834721
    24  H    3.296718   3.617266   2.841686   2.677025   1.019733
    25  H    3.744160   4.464133   3.834367   2.695691   1.019855
    26  H    5.606017   5.324501   4.021683   2.671120   3.337985
    27  H    5.227295   4.538917   3.122210   2.703981   3.620556
    28  C    4.771152   4.774198   4.445394   2.978824   4.901626
    29  N    3.929986   3.566884   3.090657   2.121504   4.235789
    30  H    5.205768   5.621325   4.805978   2.717161   3.080067
    31  H    4.355975   5.052806   4.667563   2.654474   3.382102
    32  H    5.983814   5.950454   5.108422   3.295815   4.677257
    33  H    6.097858   6.426240   5.922610   3.955337   5.231511
    34  H    5.688806   5.542644   5.231700   3.955244   5.922064
    35  H    4.429719   4.686019   4.677587   3.295656   5.108211
    36  H    3.681388   3.174218   3.080613   2.717396   4.805857
    37  H    4.713551   4.102274   3.382029   2.654092   4.666323
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.509312   0.000000
     8  N    2.445503   1.505754   0.000000
     9  N    4.476934   4.875404   4.235320   0.000000
    10  N    3.565088   3.927837   3.022363   3.104997   0.000000
    11  C    4.772377   4.768616   3.530124   3.959025   1.505347
    12  H    2.158976   1.090554   2.145177   5.918166   4.596540
    13  H    2.161154   1.090382   2.112443   5.002275   4.686922
    14  H    1.090465   2.159211   3.410790   5.238724   4.584981
    15  H    1.090465   2.160095   2.744714   4.792358   3.187579
    16  H    5.720488   5.548000   5.238919   3.410713   5.925321
    17  H    5.829937   5.560455   4.792861   2.743727   5.034478
    18  H    6.026421   6.369884   5.917983   2.145150   5.249726
    19  H    4.593208   5.093168   5.001107   2.112717   4.772036
    20  H    5.324916   5.606856   4.750377   1.019890   3.322557
    21  H    4.539129   5.227962   4.745834   1.019927   3.155099
    22  H    3.618811   3.298372   3.296303   3.363931   4.759410
    23  H    4.465565   3.746422   3.146271   3.605376   4.732226
    24  H    2.070456   2.825548   3.362727   3.296106   4.016882
    25  H    2.072776   3.314561   3.605750   3.145683   3.099261
    26  H    2.806144   2.070308   1.019849   4.749793   2.802798
    27  H    3.315904   2.070426   1.019917   4.745617   3.808751
    28  C    5.510544   5.336135   3.956887   3.532204   2.444866
    29  N    4.886330   4.478331   3.102997   3.023968   2.773732
    30  H    3.171582   3.678095   3.032674   3.909889   1.019628
    31  H    4.100544   4.711735   3.942204   2.893994   1.020098
    32  H    4.684269   4.426861   3.145838   4.715335   2.115855
    33  H    5.540697   5.686080   4.534133   4.640673   2.145132
    34  H    6.424596   6.095610   4.638361   4.536195   3.410180
    35  H    5.949205   5.982229   4.713373   3.147930   2.741840
    36  H    5.620751   5.205036   3.908238   3.034735   3.626900
    37  H    5.051012   4.353794   2.891427   3.943582   3.324293
                   11         12         13         14         15
    11  C    0.000000
    12  H    5.293884   0.000000
    13  H    5.521730   1.757935   0.000000
    14  H    5.840009   2.536417   2.496342   0.000000
    15  H    4.371980   2.493527   3.071156   1.756604   0.000000
    16  H    6.585975   6.568385   4.976592   6.176629   6.548135
    17  H    5.370141   6.564962   5.250865   6.548096   6.449921
    18  H    6.009073   7.458501   6.174099   6.566868   6.563483
    19  H    5.854544   6.173256   4.853678   4.974528   5.248669
    20  H    3.822729   6.614257   5.771359   6.157698   5.548446
    21  H    4.199761   6.241260   5.454716   5.215611   4.726956
    22  H    5.603786   4.298829   2.676103   4.065635   4.548252
    23  H    5.146902   4.635408   3.262309   5.144845   5.226707
    24  H    5.329058   3.808075   2.733627   2.310060   2.922308
    25  H    4.579955   4.171822   3.715496   2.516330   2.292685
    26  H    3.088421   2.319441   2.926110   3.792678   2.707479
    27  H    4.028445   2.501428   2.298421   4.173440   3.709480
    28  C    1.509478   6.006186   5.853460   6.584594   5.368518
    29  N    2.444747   5.247742   4.771378   5.924137   5.033330
    30  H    2.074647   4.174556   4.590974   4.133985   2.525781
    31  H    2.068620   5.435312   5.417209   5.023098   3.705458
    32  H    1.090741   4.764641   5.236044   5.750214   4.256178
    33  H    1.090528   6.142829   6.504797   6.567556   4.985537
    34  H    2.159245   6.666062   6.604577   7.510548   6.254881
    35  H    2.158570   6.749800   6.451701   6.980262   5.822433
    36  H    3.319880   6.033529   5.330000   6.607921   5.877965
    37  H    2.795511   4.977038   4.628277   6.085126   5.211433
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.756679   0.000000
    18  H    2.536187   2.493395   0.000000
    19  H    2.496780   3.071101   1.757934   0.000000
    20  H    3.791541   2.705384   2.319113   2.926182   0.000000
    21  H    4.173716   3.708482   2.501039   2.299192   1.613333
    22  H    2.309800   2.922212   3.808312   2.734208   4.095284
    23  H    2.516558   2.292508   4.171686   3.715508   3.988405
    24  H    4.064226   4.546680   4.297067   2.674044   4.291281
    25  H    5.143375   5.225267   4.632869   3.259151   4.061880
    26  H    6.157400   5.548061   6.613605   5.770000   5.165743
    27  H    5.215278   4.727389   6.240922   5.453208   5.162822
    28  C    5.841741   4.373894   5.297587   5.523487   3.092295
    29  N    4.586592   3.189779   4.599633   4.688230   2.805497
    30  H    6.608372   5.878622   6.034792   5.329811   4.259444
    31  H    6.086993   5.212866   4.979766   4.629866   3.042581
    32  H    6.981278   5.824048   6.752274   6.452270   4.677164
    33  H    7.512125   6.256531   6.669354   6.606014   4.407727
    34  H    6.569404   4.987783   6.146959   6.506698   3.991519
    35  H    5.752019   4.257535   4.768773   5.238414   2.485876
    36  H    4.136451   2.528745   4.178950   4.593587   2.616477
    37  H    5.024592   3.708140   5.438184   5.417972   3.801433
                   21         22         23         24         25
    21  H    0.000000
    22  H    4.040492   0.000000
    23  H    4.518861   1.610765   0.000000
    24  H    3.377448   2.356110   3.688687   0.000000
    25  H    2.838999   3.689403   4.704064   1.610831   0.000000
    26  H    5.162511   4.291429   4.061660   4.094817   3.989607
    27  H    5.402412   3.376287   2.838895   4.038404   4.518733
    28  C    4.029978   5.329548   4.578991   5.603145   5.147402
    29  N    3.809880   4.016970   3.098237   4.758196   4.732173
    30  H    3.836604   5.169483   5.297788   4.089544   3.015589
    31  H    2.661372   5.185219   5.292226   4.245977   3.105991
    32  H    5.040920   5.749043   5.196928   5.573158   4.961987
    33  H    4.707417   6.617887   6.210075   6.153648   5.196236
    34  H    5.070628   6.153780   5.195018   6.617028   6.210565
    35  H    3.530327   5.574019   4.960863   5.748948   5.197540
    36  H    3.931822   4.090065   3.014402   5.168963   5.298130
    37  H    4.746733   4.245266   3.104929   5.183199   5.291761
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.613408   0.000000
    28  C    3.818659   4.197954   0.000000
    29  N    3.318925   3.153220   1.505301   0.000000
    30  H    2.613939   3.930236   3.319944   3.626513   0.000000
    31  H    3.798915   4.745764   2.796003   3.324769   1.611283
    32  H    2.481945   3.528773   2.158355   2.741458   2.314958
    33  H    3.987773   5.069094   2.159330   3.410131   2.499653
    34  H    4.403346   4.705415   1.090535   2.145093   4.178683
    35  H    4.673417   5.039150   1.090711   2.115701   3.706076
    36  H    4.256091   3.834741   2.074502   1.019645   4.543067
    37  H    3.038327   2.658918   2.068536   1.020118   4.005094
                   31         32         33         34         35
    31  H    0.000000
    32  H    2.930250   0.000000
    33  H    2.322418   1.757982   0.000000
    34  H    3.784159   2.491662   2.536454   0.000000
    35  H    2.691970   3.068191   2.492098   1.757973   0.000000
    36  H    4.006164   3.705562   4.178703   2.499236   2.314849
    37  H    4.055449   2.691030   3.783747   2.322431   2.930145
                   36         37
    36  H    0.000000
    37  H    1.611239   0.000000
 Stoichiometry    C6H24N6Rh(3+)
 Framework group  C1[X(C6H24N6Rh)]
 Deg. of freedom   105
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 9.34D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.549129   -1.314430   -0.788263
      2          6           0       -2.489209   -1.476017    0.711136
      3          7           0       -1.044479   -1.454431    1.136257
      4         45           0       -0.000130    0.001194   -0.000069
      5          7           0        0.979013   -1.499358   -1.135079
      6          6           0        2.421774   -1.582911   -0.710906
      7          6           0        2.489664   -1.422617    0.788334
      8          7           0        1.765206   -0.157325    1.164490
      9          7           0       -1.771326   -0.081267   -1.164692
     10          7           0        0.846353    1.588229   -1.125363
     11          6           0        0.738351    2.867166   -0.338772
     12          1           0        3.522738   -1.386980    1.135893
     13          1           0        2.001305   -2.252119    1.300550
     14          1           0        2.857267   -2.531087   -1.027803
     15          1           0        2.968217   -0.788602   -1.220402
     16          1           0       -2.965537   -2.404082    1.028788
     17          1           0       -3.001106   -0.658115    1.219196
     18          1           0       -3.579526   -1.235083   -1.136554
     19          1           0       -2.096289   -2.164485   -1.299497
     20          1           0       -2.362757    0.735147   -1.010250
     21          1           0       -1.609574   -0.093552   -2.171636
     22          1           0       -0.655835   -2.389232    1.013613
     23          1           0       -1.001112   -1.293217    2.142374
     24          1           0        0.550139   -2.416063   -1.010284
     25          1           0        0.941875   -1.338185   -2.141433
     26          1           0        2.390479    0.633402    1.009972
     27          1           0        1.602819   -0.162717    2.171382
     28          6           0       -0.610554    2.897131    0.338045
     29          7           0       -0.774947    1.624429    1.124896
     30          1           0        1.817283    1.452092   -1.405369
     31          1           0        0.343546    1.706576   -2.005010
     32          1           0        1.547067    2.884617    0.392932
     33          1           0        0.872022    3.729137   -0.993286
     34          1           0       -0.705739    3.764309    0.992421
     35          1           0       -1.417931    2.950176   -0.393378
     36          1           0       -1.750813    1.531989    1.405639
     37          1           0       -0.266810    1.720469    2.004222
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.7011504           0.6913191           0.4695393
 Leave Link  202 at Sun Jul 18 17:14:31 2021, MaxMem=  5637144576 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27     30     31     32     33
 Centers:      34     35     36     37
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      6      7     11     28
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       3      5      8      9     10     29
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 7 1.00
     Exponent=  1.8466600000D+02 Coefficients=  6.9200000000D-04
     Exponent=  2.1997400000D+01 Coefficients= -3.8393000000D-02
     Exponent=  1.3761600000D+01 Coefficients=  1.7601900000D-01
     Exponent=  5.0872000000D+00 Coefficients= -6.2992500000D-01
     Exponent=  1.2294000000D+00 Coefficients=  8.4954400000D-01
     Exponent=  5.5681400000D-01 Coefficients=  4.4572900000D-01
     Exponent=  1.1406700000D-01 Coefficients=  1.8204000000D-02
 S 7 1.00
     Exponent=  1.8466600000D+02 Coefficients= -1.7800000000D-04
     Exponent=  2.1997400000D+01 Coefficients=  9.4560000000D-03
     Exponent=  1.3761600000D+01 Coefficients= -4.9472000000D-02
     Exponent=  5.0872000000D+00 Coefficients=  2.0186700000D-01
     Exponent=  1.2294000000D+00 Coefficients= -3.6980900000D-01
     Exponent=  5.5681400000D-01 Coefficients= -2.6533100000D-01
     Exponent=  1.1406700000D-01 Coefficients=  5.8915400000D-01
 S 7 1.00
     Exponent=  1.8466600000D+02 Coefficients=  8.3700000000D-04
     Exponent=  2.1997400000D+01 Coefficients= -4.0286000000D-02
     Exponent=  1.3761600000D+01 Coefficients=  1.5064900000D-01
     Exponent=  5.0872000000D+00 Coefficients= -5.2685100000D-01
     Exponent=  1.2294000000D+00 Coefficients=  1.5723820000D+00
     Exponent=  5.5681400000D-01 Coefficients= -8.8764300000D-01
     Exponent=  1.1406700000D-01 Coefficients= -1.4709450000D+00
 S 1 1.00
     Exponent=  4.1415000000D-02 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.5000000000D-02 Coefficients=  1.0000000000D+00
 P 6 1.00
     Exponent=  1.3698500000D+01 Coefficients=  3.1821000000D-02
     Exponent=  6.6247600000D+00 Coefficients= -1.9302800000D-01
     Exponent=  1.6961300000D+00 Coefficients=  5.0624200000D-01
     Exponent=  7.9735100000D-01 Coefficients=  4.9490200000D-01
     Exponent=  3.5203400000D-01 Coefficients=  1.4403000000D-01
     Exponent=  1.2334200000D-01 Coefficients=  5.6080000000D-03
 P 6 1.00
     Exponent=  1.3698500000D+01 Coefficients= -8.5830000000D-03
     Exponent=  6.6247600000D+00 Coefficients=  5.6811000000D-02
     Exponent=  1.6961300000D+00 Coefficients= -1.8017200000D-01
     Exponent=  7.9735100000D-01 Coefficients= -2.0341100000D-01
     Exponent=  3.5203400000D-01 Coefficients=  8.4818000000D-02
     Exponent=  1.2334200000D-01 Coefficients=  6.0105700000D-01
 P 6 1.00
     Exponent=  1.3698500000D+01 Coefficients= -1.5164000000D-02
     Exponent=  6.6247600000D+00 Coefficients=  1.0112500000D-01
     Exponent=  1.6961300000D+00 Coefficients= -3.4564100000D-01
     Exponent=  7.9735100000D-01 Coefficients= -3.4548500000D-01
     Exponent=  3.5203400000D-01 Coefficients=  4.2210200000D-01
     Exponent=  1.2334200000D-01 Coefficients=  7.3047900000D-01
 P 1 1.00
     Exponent=  4.3130000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.5100000000D-02 Coefficients=  1.0000000000D+00
 D 5 1.00
     Exponent=  1.8737000000D+01 Coefficients=  6.4810000000D-03
     Exponent=  1.1704600000D+01 Coefficients= -1.3942000000D-02
     Exponent=  2.2555800000D+00 Coefficients=  2.5068200000D-01
     Exponent=  9.4941100000D-01 Coefficients=  4.5111100000D-01
     Exponent=  3.6616400000D-01 Coefficients=  3.8399900000D-01
 D 5 1.00
     Exponent=  1.8737000000D+01 Coefficients= -7.5900000000D-03
     Exponent=  1.1704600000D+01 Coefficients=  1.6294000000D-02
     Exponent=  2.2555800000D+00 Coefficients= -3.3477300000D-01
     Exponent=  9.4941100000D-01 Coefficients= -4.4639600000D-01
     Exponent=  3.6616400000D-01 Coefficients=  3.2996700000D-01
 D 1 1.00
     Exponent=  1.2397700000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  4.2000000000D-02 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  9.9360000000D-01 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  3.2220000000D-01 Coefficients=  1.0000000000D+00
 ****
 ======================================================================================================
                                       Pseudopotential Parameters
 ======================================================================================================
  Center     Atomic      Valence      Angular      Power
  Number     Number     Electrons     Momentum     of R      Exponent        Coefficient   SO-Coeffient
 ======================================================================================================
    1          6
                                   No pseudopotential on this center.
    2          6
                                   No pseudopotential on this center.
    3          7
                                   No pseudopotential on this center.
    4         45           17
                                      G and up 
                                                     2        1.0000000        0.00000000    0.00000000
                                      S - G
                                                     2       12.1948160      225.31205400    0.00000000
                                                     2        5.4051370       32.44158200    0.00000000
                                      P - G
                                                     2       11.2807550       52.87282600    0.00000000
                                                     2       10.9272480      105.74552600    0.00000000
                                                     2        5.0901170        8.61934400    0.00000000
                                                     2        4.8518320       16.97345900    0.00000000
                                      D - G
                                                     2        9.1363370       25.10850100    0.00000000
                                                     2        8.9648080       37.69573100    0.00000000
                                                     2        3.6436120        4.20258400    0.00000000
                                                     2        3.6360070        6.29279000    0.00000000
                                      F - G
                                                     2        8.6162280       -9.67356800    0.00000000
                                                     2        8.6294350      -12.89984700    0.00000000
    5          7
                                   No pseudopotential on this center.
    6          6
                                   No pseudopotential on this center.
    7          6
                                   No pseudopotential on this center.
    8          7
                                   No pseudopotential on this center.
    9          7
                                   No pseudopotential on this center.
   10          7
                                   No pseudopotential on this center.
   11          6
                                   No pseudopotential on this center.
   12          1
                                   No pseudopotential on this center.
   13          1
                                   No pseudopotential on this center.
   14          1
                                   No pseudopotential on this center.
   15          1
                                   No pseudopotential on this center.
   16          1
                                   No pseudopotential on this center.
   17          1
                                   No pseudopotential on this center.
   18          1
                                   No pseudopotential on this center.
   19          1
                                   No pseudopotential on this center.
   20          1
                                   No pseudopotential on this center.
   21          1
                                   No pseudopotential on this center.
   22          1
                                   No pseudopotential on this center.
   23          1
                                   No pseudopotential on this center.
   24          1
                                   No pseudopotential on this center.
   25          1
                                   No pseudopotential on this center.
   26          1
                                   No pseudopotential on this center.
   27          1
                                   No pseudopotential on this center.
   28          6
                                   No pseudopotential on this center.
   29          7
                                   No pseudopotential on this center.
   30          1
                                   No pseudopotential on this center.
   31          1
                                   No pseudopotential on this center.
   32          1
                                   No pseudopotential on this center.
   33          1
                                   No pseudopotential on this center.
   34          1
                                   No pseudopotential on this center.
   35          1
                                   No pseudopotential on this center.
   36          1
                                   No pseudopotential on this center.
   37          1
                                   No pseudopotential on this center.
 ======================================================================================================
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  50 primitive shells out of 585 were deleted.
 There are   580 symmetry adapted cartesian basis functions of A   symmetry.
 There are   546 symmetry adapted basis functions of A   symmetry.
   546 basis functions,   991 primitive gaussians,   580 cartesian basis functions
    58 alpha electrons       58 beta electrons
       nuclear repulsion energy      1198.2090739051 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.236000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.236000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   37 NActive=   37 NUniq=   37 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Sun Jul 18 17:14:34 2021, MaxMem=  5637144576 cpu:              19.1 elap:               2.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29884 LenP2D=  115137.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 NBasis=   546 RedAO= T EigKep=  1.16D-06  NBF=   546
 NBsUse=   546 1.00D-06 EigRej= -1.00D+00 NBFU=   546
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  45.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   580   580   580   580   580 MxSgAt=    37 MxSgA2=    37.
 Leave Link  302 at Sun Jul 18 17:14:37 2021, MaxMem=  5637144576 cpu:              19.5 elap:               2.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Sun Jul 18 17:14:37 2021, MaxMem=  5637144576 cpu:               1.6 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "36b_RhEn3-lel2ob_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Sun Jul 18 17:14:39 2021, MaxMem=  5637144576 cpu:              11.0 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636461399 LenY=  5636124419
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 E= -679.243658939295    
 DIIS: error= 4.02D-05 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -679.243658939295     IErMin= 1 ErrMin= 4.02D-05
 ErrMax= 4.02D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.74D-07 BMatP= 6.74D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.356 Goal=   None    Shift=    0.000
 RMSDP=6.86D-05 MaxDP=2.60D-02              OVMax= 3.30D-04

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.68D-05    CP:  9.99D-01
 E= -679.243660078205     Delta-E=       -0.000001138910 Rises=F Damp=F
 DIIS: error= 1.67D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -679.243660078205     IErMin= 2 ErrMin= 1.67D-05
 ErrMax= 1.67D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.20D-07 BMatP= 6.74D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.227D+00 0.773D+00
 Coeff:      0.227D+00 0.773D+00
 Gap=     0.356 Goal=   None    Shift=    0.000
 RMSDP=1.83D-05 MaxDP=6.98D-03 DE=-1.14D-06 OVMax= 1.64D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.31D-06    CP:  9.99D-01  7.23D-01
 E= -679.243660047021     Delta-E=        0.000000031184 Rises=F Damp=F
 DIIS: error= 3.45D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -679.243660078205     IErMin= 2 ErrMin= 1.67D-05
 ErrMax= 3.45D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.10D-07 BMatP= 2.20D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.106D+00 0.594D+00 0.512D+00
 Coeff:     -0.106D+00 0.594D+00 0.512D+00
 Gap=     0.356 Goal=   None    Shift=    0.000
 RMSDP=1.54D-05 MaxDP=6.09D-03 DE= 3.12D-08 OVMax= 1.29D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.02D-06    CP:  9.99D-01  9.58D-01  3.47D-01
 E= -679.243660268023     Delta-E=       -0.000000221002 Rises=F Damp=F
 DIIS: error= 2.30D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -679.243660268023     IErMin= 4 ErrMin= 2.30D-06
 ErrMax= 2.30D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.23D-09 BMatP= 2.20D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.251D-01 0.392D-01 0.111D+00 0.875D+00
 Coeff:     -0.251D-01 0.392D-01 0.111D+00 0.875D+00
 Gap=     0.356 Goal=   None    Shift=    0.000
 RMSDP=2.82D-06 MaxDP=1.08D-03 DE=-2.21D-07 OVMax= 1.96D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.20D-07    CP:  9.99D-01  9.16D-01  4.78D-01  9.62D-01
 E= -679.243660271473     Delta-E=       -0.000000003449 Rises=F Damp=F
 DIIS: error= 5.83D-07 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -679.243660271473     IErMin= 5 ErrMin= 5.83D-07
 ErrMax= 5.83D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.94D-10 BMatP= 3.23D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.225D-02-0.549D-01-0.202D-01 0.317D+00 0.756D+00
 Coeff:      0.225D-02-0.549D-01-0.202D-01 0.317D+00 0.756D+00
 Gap=     0.356 Goal=   None    Shift=    0.000
 RMSDP=3.17D-07 MaxDP=1.11D-04 DE=-3.45D-09 OVMax= 6.74D-06

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.44D-07    CP:  9.99D-01  9.12D-01  4.90D-01  9.76D-01  9.13D-01
 E= -679.243660272037     Delta-E=       -0.000000000565 Rises=F Damp=F
 DIIS: error= 1.83D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -679.243660272037     IErMin= 6 ErrMin= 1.83D-07
 ErrMax= 1.83D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.58D-11 BMatP= 2.94D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.343D-02-0.240D-01-0.178D-01 0.573D-01 0.300D+00 0.681D+00
 Coeff:      0.343D-02-0.240D-01-0.178D-01 0.573D-01 0.300D+00 0.681D+00
 Gap=     0.356 Goal=   None    Shift=    0.000
 RMSDP=8.41D-08 MaxDP=3.11D-05 DE=-5.65D-10 OVMax= 1.45D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.89D-08    CP:  9.99D-01  9.11D-01  4.92D-01  9.77D-01  9.28D-01
                    CP:  1.00D+00
 E= -679.243660272000     Delta-E=        0.000000000037 Rises=F Damp=F
 DIIS: error= 4.55D-08 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 6 EnMin= -679.243660272037     IErMin= 7 ErrMin= 4.55D-08
 ErrMax= 4.55D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.29D-12 BMatP= 3.58D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.516D-03-0.799D-05-0.185D-02-0.236D-01-0.132D-01 0.169D+00
 Coeff-Com:  0.869D+00
 Coeff:      0.516D-03-0.799D-05-0.185D-02-0.236D-01-0.132D-01 0.169D+00
 Coeff:      0.869D+00
 Gap=     0.356 Goal=   None    Shift=    0.000
 RMSDP=2.82D-08 MaxDP=8.20D-06 DE= 3.71D-11 OVMax= 6.03D-07

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.35D-08    CP:  9.99D-01  9.11D-01  4.92D-01  9.77D-01  9.48D-01
                    CP:  1.06D+00  9.50D-01
 E= -679.243660272063     Delta-E=       -0.000000000062 Rises=F Damp=F
 DIIS: error= 1.86D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -679.243660272063     IErMin= 8 ErrMin= 1.86D-08
 ErrMax= 1.86D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.70D-13 BMatP= 2.29D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.824D-04 0.194D-02 0.992D-03-0.148D-01-0.307D-01 0.698D-02
 Coeff-Com:  0.353D+00 0.683D+00
 Coeff:     -0.824D-04 0.194D-02 0.992D-03-0.148D-01-0.307D-01 0.698D-02
 Coeff:      0.353D+00 0.683D+00
 Gap=     0.356 Goal=   None    Shift=    0.000
 RMSDP=1.98D-08 MaxDP=7.65D-06 DE=-6.23D-11 OVMax= 1.75D-07

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.50D-09    CP:  9.99D-01  9.10D-01  4.93D-01  9.76D-01  9.49D-01
                    CP:  1.07D+00  9.90D-01  9.41D-01
 E= -679.243660271941     Delta-E=        0.000000000122 Rises=F Damp=F
 DIIS: error= 4.37D-09 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 8 EnMin= -679.243660272063     IErMin= 9 ErrMin= 4.37D-09
 ErrMax= 4.37D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.69D-15 BMatP= 3.70D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.437D-04 0.147D-03 0.271D-03 0.393D-03-0.123D-02-0.143D-01
 Coeff-Com: -0.343D-01 0.748D-01 0.974D+00
 Coeff:     -0.437D-04 0.147D-03 0.271D-03 0.393D-03-0.123D-02-0.143D-01
 Coeff:     -0.343D-01 0.748D-01 0.974D+00
 Gap=     0.356 Goal=   None    Shift=    0.000
 RMSDP=2.36D-09 MaxDP=7.05D-07 DE= 1.22D-10 OVMax= 7.04D-08

 SCF Done:  E(RLC-PBE+HF-PBE) =  -679.243660272     A.U. after    9 cycles
            NFock=  9  Conv=0.24D-08     -V/T= 2.1208
 KE= 6.060378572616D+02 PE=-3.902775537891D+03 EE= 1.419284946453D+03
 Leave Link  502 at Sun Jul 18 17:42:56 2021, MaxMem=  5637144576 cpu:           13497.7 elap:            1696.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   546
 NBasis=   546 NAE=    58 NBE=    58 NFC=     0 NFV=     0
 NROrb=    546 NOA=    58 NOB=    58 NVA=   488 NVB=   488

 **** Warning!!: The largest alpha MO coefficient is  0.32780015D+03

 Leave Link  801 at Sun Jul 18 17:42:57 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
 Defaulting to unpruned grid for atomic number  45.
        11517 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          37
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29891 LenP2D=  144244.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.72D-13 8.33D-09 XBig12= 1.00D+00 3.06D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.72D-13 8.33D-09 XBig12= 1.81D-01 4.96D-02.
     11 vectors produced by pass  2 Test12= 4.72D-13 8.33D-09 XBig12= 6.48D-02 7.36D-02.
     11 vectors produced by pass  3 Test12= 4.72D-13 8.33D-09 XBig12= 1.23D-02 2.38D-02.
     11 vectors produced by pass  4 Test12= 4.72D-13 8.33D-09 XBig12= 2.06D-03 1.20D-02.
     11 vectors produced by pass  5 Test12= 4.72D-13 8.33D-09 XBig12= 3.02D-04 4.43D-03.
     11 vectors produced by pass  6 Test12= 4.72D-13 8.33D-09 XBig12= 5.05D-05 2.09D-03.
     11 vectors produced by pass  7 Test12= 4.72D-13 8.33D-09 XBig12= 3.57D-06 3.30D-04.
     11 vectors produced by pass  8 Test12= 4.72D-13 8.33D-09 XBig12= 1.76D-07 8.24D-05.
     11 vectors produced by pass  9 Test12= 4.72D-13 8.33D-09 XBig12= 9.64D-09 2.16D-05.
     11 vectors produced by pass 10 Test12= 4.72D-13 8.33D-09 XBig12= 3.81D-10 4.74D-06.
      9 vectors produced by pass 11 Test12= 4.72D-13 8.33D-09 XBig12= 1.05D-11 8.68D-07.
      7 vectors produced by pass 12 Test12= 4.72D-13 8.33D-09 XBig12= 3.10D-13 1.04D-07.
      1 vectors produced by pass 13 Test12= 4.72D-13 8.33D-09 XBig12= 2.53D-14 1.50D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   138 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.158805D+03
      2 -0.492642D-02  0.157539D+03
      3 -0.461940D-01 -0.260669D-03  0.127262D+03
 Isotropic polarizability for W=    0.085645      147.87 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.669699D+01 -0.103679D+03 -0.241166D+00
      2   0.683753D+01  0.110515D+03  0.222375D+00
      3  -0.140542D+00 -0.683634D+01  0.187914D-01
      4  -0.100745D+03  0.688874D+01 -0.547274D+01
      5  -0.202836D+00  0.111270D+01 -0.248853D+00
      6  -0.100436D+02  0.182464D+00 -0.104905D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.359089D+01  0.115884D+00  0.228090D+01
      2   0.682967D-01  0.887836D+00 -0.426982D-01
      3   0.272538D+01 -0.100427D+00 -0.174925D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.658544D+01 -0.399109D-01  0.365413D+01
      2  -0.383298D-01  0.457083D+01 -0.108311D+00
      3   0.293314D+01 -0.512143D-01 -0.111563D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.121565D+01 -0.558253D-01 -0.428161D+00
      2  -0.558253D-01 -0.152736D+01  0.158405D-01
      3  -0.428161D+00  0.158405D-01 -0.414059D+01
 OR G Eigenvalues:    -4.1747    -1.5285     1.2508  Iso=     1.4841
 Eigenvectors:
   (1)   0.079137  -0.004296   0.996854
   (2)   0.020754   0.999781   0.002661
   (3)   0.996648  -0.020478  -0.079209
 w=    0.085645 a.u., Optical Rotation Beta=      1.4841 au.
 Molar Mass =    283.2013 grams/mole, [Alpha] ( 5320.0 A) =      248.54 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  149331 ScalPx= 9.35D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  149331 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.05D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.86D-14 2.78D-09 XBig12= 1.00D+00 3.62D-01.
     30 vectors produced by pass  1 Test12= 7.86D-14 2.78D-09 XBig12= 9.01D-01 4.44D-01.
     30 vectors produced by pass  2 Test12= 7.86D-14 2.78D-09 XBig12= 1.67D-02 3.07D-02.
     30 vectors produced by pass  3 Test12= 7.86D-14 2.78D-09 XBig12= 5.42D-04 5.10D-03.
     30 vectors produced by pass  4 Test12= 7.86D-14 2.78D-09 XBig12= 2.08D-05 5.88D-04.
     30 vectors produced by pass  5 Test12= 7.86D-14 2.78D-09 XBig12= 3.76D-07 1.09D-04.
     30 vectors produced by pass  6 Test12= 7.86D-14 2.78D-09 XBig12= 6.13D-09 1.24D-05.
     30 vectors produced by pass  7 Test12= 7.86D-14 2.78D-09 XBig12= 8.27D-11 1.46D-06.
     30 vectors produced by pass  8 Test12= 7.86D-14 2.78D-09 XBig12= 8.76D-13 1.34D-07.
     17 vectors produced by pass  9 Test12= 7.86D-14 2.78D-09 XBig12= 1.43D-14 1.32D-08.
      1 vectors produced by pass 10 Test12= 7.86D-14 2.78D-09 XBig12= 1.43D-15 4.22D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   288 with    30 vectors.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29891 LenP2D=  144244.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  149331 ScalPx= 2.80D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  149331 ScalPx= 2.80D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  149331 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.99D+03
 FullF1:  Do perturbations      1 to      30.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29891 LenP2D=  144244.
 LDataN:  DoStor=T MaxTD1= 9 Len=  602
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.158805D+03 -0.492642D-02 -0.461940D-01
      2  -0.492642D-02  0.157539D+03 -0.260669D-03
      3  -0.461940D-01 -0.260669D-03  0.127262D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.359089D+01  0.115884D+00  0.228090D+01
      2   0.682967D-01  0.887836D+00 -0.426982D-01
      3   0.272538D+01 -0.100427D+00 -0.174925D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.669699D+01 -0.103679D+03 -0.241166D+00
      2   0.683753D+01  0.110515D+03  0.222375D+00
      3  -0.140542D+00 -0.683634D+01  0.187914D-01
      4  -0.100745D+03  0.688874D+01 -0.547274D+01
      5  -0.202836D+00  0.111270D+01 -0.248853D+00
      6  -0.100436D+02  0.182464D+00 -0.104905D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.832387D+01  0.962570D+00  0.406472D+01 -0.613468D+00 -0.273072D+01
      2   0.962570D+00 -0.243106D+01  0.434218D-01 -0.273072D+01  0.702515D+00
      3   0.406472D+01  0.434218D-01  0.492167D+00 -0.521653D+00  0.219761D+01
                 6             7             8             9            10 
      1  -0.521653D+00  0.303943D+01 -0.373725D+00  0.526800D+00 -0.864501D+00
      2   0.219761D+01 -0.373725D+00  0.161702D+01  0.112413D+01  0.112030D+01
      3   0.975266D+00  0.526800D+00  0.112413D+01 -0.183983D+00 -0.250625D+01
                11            12            13            14            15 
      1   0.112030D+01 -0.250625D+01  0.232258D+01  0.547556D+01 -0.899308D+00
      2   0.429972D+01 -0.275942D+00  0.547556D+01  0.281179D+01 -0.351336D+01
      3  -0.275942D+00  0.854055D+00 -0.899308D+00 -0.351336D+01 -0.255602D+00
                16            17            18            19            20 
      1  -0.168052D+01 -0.335074D+00  0.107964D+01 -0.298430D+01 -0.411014D+01
      2  -0.335074D+00 -0.277690D+01 -0.268876D+00 -0.411014D+01 -0.625586D+01
      3   0.107964D+01 -0.268876D+00  0.254352D+00  0.334891D+01  0.247896D+01
                21            22            23            24            25 
      1   0.334891D+01 -0.184911D+01 -0.415394D+01  0.127190D+01  0.181132D+01
      2   0.247896D+01 -0.415394D+01 -0.287607D+01  0.269115D+01  0.114529D+01
      3  -0.126027D+01  0.127190D+01  0.269115D+01 -0.152135D+01 -0.104954D+01
                26            27            28            29            30 
      1   0.114529D+01 -0.104954D+01  0.953333D-01  0.177107D+01 -0.174012D-03
      2   0.282671D+01 -0.182319D+01  0.177107D+01 -0.142422D+00 -0.153116D+01
      3  -0.182319D+01 -0.154416D+01 -0.174012D-03 -0.153116D+01  0.639743D-03
                31            32            33            34            35 
      1   0.166067D+01 -0.123190D+00  0.176784D+01 -0.824289D-02 -0.683375D-01
      2  -0.123190D+00 -0.210902D+01 -0.138905D-02 -0.683375D-01  0.159660D-02
      3   0.176784D+01 -0.138905D-02  0.238954D+00  0.827158D-03  0.859601D-01
                36            37            38            39            40 
      1   0.827158D-03  0.255926D+01 -0.376520D+01 -0.317850D+01 -0.159576D+01
      2   0.859601D-01 -0.376520D+01  0.646222D+01  0.249597D+01  0.425801D+01
      3  -0.418577D-02 -0.317850D+01  0.249597D+01  0.119382D+01  0.128558D+01
                41            42            43            44            45 
      1   0.425801D+01  0.128558D+01 -0.172100D+01  0.109329D+01  0.966127D+00
      2  -0.352466D+01 -0.285876D+01  0.109329D+01 -0.293109D+01 -0.185731D+01
      3  -0.285876D+01 -0.156610D+01  0.966127D+00 -0.185731D+01  0.154698D+01
                46            47            48            49            50 
      1   0.104440D+01  0.658010D+00  0.245463D+01  0.180727D+01 -0.546497D+01
      2   0.658010D+00 -0.423729D+01 -0.227068D+00 -0.546497D+01  0.348185D+01
      3   0.245463D+01 -0.227068D+00 -0.867328D+00 -0.848984D+00  0.356068D+01
                51            52            53            54            55 
      1  -0.848984D+00  0.165152D+01 -0.280862D+00 -0.108961D+01 -0.823793D+01
      2   0.356068D+01 -0.280862D+00  0.280296D+01 -0.230268D+00  0.153703D+01
      3  -0.224426D+00 -0.108961D+01 -0.230268D+00 -0.250679D+00 -0.407727D+01
                56            57            58            59            60 
      1   0.153703D+01 -0.407727D+01 -0.304678D-01  0.271225D+01 -0.443960D+00
      2   0.234137D+01  0.123103D+00  0.271225D+01  0.361039D+00 -0.217820D+01
      3   0.123103D+00 -0.443763D+00 -0.443960D+00 -0.217820D+01  0.997220D+00
                61            62            63            64            65 
      1  -0.305941D+01 -0.313289D+00 -0.472376D+00  0.979971D+01 -0.155528D+01
      2  -0.313289D+00 -0.158614D+01  0.114906D+01 -0.155528D+01 -0.121534D+01
      3  -0.472376D+00  0.114906D+01  0.182015D+00  0.479655D+01 -0.573848D+00
                66            67            68            69            70 
      1   0.479655D+01 -0.457229D+01 -0.269529D+00 -0.186300D+01  0.370415D+01
      2  -0.573848D+00 -0.269529D+00 -0.730965D+00  0.168459D+01  0.499260D-01
      3   0.216903D+01 -0.186300D+01  0.168459D+01 -0.604135D+00  0.219026D+01
                71            72            73            74            75 
      1   0.499260D-01  0.219026D+01 -0.100815D+02 -0.105902D+01 -0.488972D+01
      2   0.110548D+01 -0.165583D+00 -0.105902D+01  0.129888D+01 -0.436183D+00
      3  -0.165583D+00 -0.152260D+01 -0.488972D+01 -0.436183D+00 -0.218892D+01
                76            77            78            79            80 
      1  -0.411444D+01  0.481748D+00 -0.172909D+01 -0.368705D+01  0.162098D+00
      2   0.481748D+00 -0.807243D+00 -0.158710D+01  0.162098D+00 -0.111467D+01
      3  -0.172909D+01 -0.158710D+01 -0.508803D+00 -0.219297D+01 -0.722640D-01
                81            82            83            84            85 
      1  -0.219297D+01 -0.299891D+00  0.168308D+01  0.796469D+00  0.247645D+01
      2  -0.722640D-01  0.168308D+01  0.169664D+01 -0.113050D+01  0.438295D+01
      3   0.152489D+01  0.796469D+00 -0.113050D+01  0.131548D+01 -0.184665D+01
                86            87            88            89            90 
      1   0.438295D+01 -0.184665D+01  0.222889D+00 -0.971139D+00  0.215629D+01
      2   0.883120D+01 -0.497308D+01 -0.971139D+00 -0.278832D+01  0.103011D+01
      3  -0.497308D+01  0.122561D+01  0.215629D+01  0.103011D+01  0.638481D+00
                91            92            93            94            95 
      1  -0.147347D+01 -0.379494D+00 -0.224713D+01 -0.668725D+00 -0.215174D+01
      2  -0.379494D+00 -0.434267D+00  0.526752D+00 -0.215174D+01 -0.466104D+01
      3  -0.224713D+01  0.526752D+00 -0.164855D+01  0.565554D+00  0.458907D+01
                96            97            98            99           100 
      1   0.565554D+00 -0.272293D+01  0.103735D+01 -0.206788D+01  0.110525D+02
      2   0.458907D+01  0.103735D+01  0.592612D+01 -0.178437D+01 -0.218886D+01
      3  -0.965679D+00 -0.206788D+01 -0.178437D+01  0.208373D+00  0.326524D+01
               101           102           103           104           105 
      1  -0.218886D+01  0.326524D+01  0.134998D+00  0.100518D+01  0.282504D+00
      2   0.143896D+01 -0.565645D+00  0.100518D+01 -0.807089D+00  0.696406D+00
      3  -0.565645D+00  0.220035D+01  0.282504D+00  0.696406D+00 -0.215151D+00
               106           107           108           109           110 
      1   0.307905D+01 -0.588117D+00  0.244897D+01 -0.475456D+00 -0.736587D+00
      2  -0.588117D+00  0.656517D+00 -0.750740D+00 -0.736587D+00 -0.145115D+01
      3   0.244897D+01 -0.750740D+00  0.165545D+01  0.958378D+00  0.540245D+00
               111           112           113           114           115 
      1   0.958378D+00 -0.113266D+01 -0.130032D+00  0.515935D-01  0.129169D+01
      2   0.540245D+00 -0.130032D+00 -0.441748D+01  0.211113D+01 -0.254356D+00
      3  -0.899652D+00  0.515935D-01  0.211113D+01 -0.223485D+01  0.691274D-01
               116           117           118           119           120 
      1  -0.254356D+00  0.691274D-01  0.364104D+01 -0.254240D+01 -0.123568D+01
      2   0.193606D+01 -0.172907D+01 -0.254240D+01  0.268769D+01  0.623679D+00
      3  -0.172907D+01  0.226891D+01 -0.123568D+01  0.623679D+00  0.110924D+01
               121           122           123           124           125 
      1  -0.406097D+01  0.461847D+01  0.143338D+01 -0.150435D+01  0.120413D+01
      2   0.461847D+01 -0.702459D+01 -0.244641D+01  0.120413D+01 -0.194658D+01
      3   0.143338D+01 -0.244641D+01 -0.173570D+01  0.165513D+01 -0.171879D+01
               126           127           128           129           130 
      1   0.165513D+01  0.317892D+01  0.877341D+00 -0.165804D+01  0.223807D+01
      2  -0.171879D+01  0.877341D+00  0.119450D+01 -0.402318D+00  0.136802D+01
      3  -0.143029D+01 -0.165804D+01 -0.402318D+00  0.158692D+01 -0.847421D+00
               131           132           133           134           135 
      1   0.136802D+01 -0.847421D+00 -0.205121D+01 -0.105572D+00  0.154144D+01
      2   0.194574D+01 -0.136173D+01 -0.105572D+00 -0.120630D+01  0.708898D+00
      3  -0.136173D+01  0.173735D+01  0.154144D+01  0.708898D+00 -0.216832D+01
               136           137           138           139           140 
      1  -0.405195D+01 -0.269346D+01  0.132847D+01 -0.429656D+01 -0.461627D+01
      2  -0.269346D+01 -0.275215D+01  0.673187D+00 -0.461627D+01 -0.649959D+01
      3   0.132847D+01  0.673187D+00 -0.118403D+01  0.148386D+01  0.235602D+01
               141           142           143           144           145 
      1   0.148386D+01  0.161406D+01  0.122172D+01 -0.173059D+01 -0.301540D+01
      2   0.235602D+01  0.122172D+01  0.184355D+01 -0.164777D+01  0.899861D+00
      3  -0.168786D+01 -0.173059D+01 -0.164777D+01  0.143328D+01  0.160333D+01
               146           147           148           149           150 
      1   0.899861D+00  0.160333D+01  0.225680D+01 -0.141889D+01 -0.858031D+00
      2  -0.118753D+01 -0.412504D+00 -0.141889D+01  0.212342D+01  0.141651D+01
      3  -0.412504D+00 -0.150952D+01 -0.858031D+00  0.141651D+01  0.180318D+01
               151           152           153           154           155 
      1   0.204103D+01 -0.140410D+00 -0.150727D+01 -0.112078D+02 -0.181442D+01
      2  -0.140410D+00  0.121646D+01  0.773785D+00 -0.181442D+01 -0.129878D+01
      3  -0.150727D+01  0.773785D+00  0.216088D+01 -0.327504D+01 -0.456338D+00
               156           157           158           159           160 
      1  -0.327504D+01  0.525683D+00 -0.965770D+00  0.392108D+00 -0.313277D+01
      2  -0.456338D+00 -0.965770D+00 -0.665891D+00 -0.689948D+00 -0.484519D+00
      3  -0.220972D+01  0.392108D+00 -0.689948D+00 -0.121185D+00 -0.248292D+01
               161           162           163           164           165 
      1  -0.484519D+00 -0.248292D+01  0.364536D+00 -0.693467D+00 -0.935334D+00
      2  -0.612073D+00 -0.646066D+00 -0.693467D+00  0.132336D+01  0.489667D+00
      3  -0.646066D+00 -0.165859D+01 -0.935334D+00  0.489667D+00  0.802114D+00
               166           167           168           169           170 
      1  -0.115381D+01  0.184411D-01  0.102312D-02 -0.131722D+01 -0.280637D+00
      2   0.184411D-01 -0.448941D+01 -0.213370D+01 -0.280637D+00 -0.191146D+01
      3   0.102312D-02 -0.213370D+01 -0.227024D+01 -0.143382D+00 -0.172286D+01
               171           172           173           174           175 
      1  -0.143382D+00 -0.253572D+01  0.167573D+01 -0.330628D-02  0.379532D+01
      2  -0.172286D+01  0.167573D+01 -0.228620D+01  0.401923D+00 -0.130187D+01
      3  -0.226417D+01 -0.330628D-02  0.401923D+00 -0.501529D+00  0.148454D+01
               176           177           178           179           180 
      1  -0.130187D+01  0.148454D+01  0.177092D+01  0.492294D+00  0.292757D+00
      2   0.342795D+01 -0.188044D+00  0.492294D+00  0.172400D+00  0.672245D+00
      3  -0.188044D+00  0.130485D+01  0.292757D+00  0.672245D+00 -0.201333D+00
               181           182           183           184           185 
      1   0.145371D+01  0.360618D+00  0.234463D+00 -0.128808D+00 -0.678087D+00
      2   0.360618D+00 -0.551550D+00  0.406914D-01 -0.678087D+00  0.140948D+00
      3   0.234463D+00  0.406914D-01  0.748500D+00  0.607452D-02 -0.767005D+00
               186           187           188           189           190 
      1   0.607452D-02 -0.213559D+01 -0.251478D+00 -0.150774D+01  0.154733D+01
      2  -0.767005D+00 -0.251478D+00 -0.112346D+01  0.641119D+00  0.487574D-01
      3   0.112958D+00 -0.150774D+01  0.641119D+00 -0.718815D+01 -0.645816D+00
               191           192           193           194           195 
      1   0.487574D-01 -0.645816D+00 -0.196939D+01  0.695086D+00  0.436614D-02
      2   0.219310D+01 -0.106047D+01  0.695086D+00 -0.611137D+01  0.102726D+01
      3  -0.106047D+01  0.778325D+00  0.436614D-02  0.102726D+01 -0.118153D+01
               196           197           198           199           200 
      1  -0.997713D+00 -0.950474D+00  0.661115D+00 -0.361223D+00  0.197829D+00
      2  -0.950474D+00 -0.796472D+00 -0.177439D+00  0.197829D+00  0.721067D+00
      3   0.661115D+00 -0.177439D+00  0.290931D+00  0.457932D+00 -0.358515D+00
               201           202           203           204           205 
      1   0.457932D+00  0.614559D+00  0.113554D+01 -0.475872D+00  0.159410D+01
      2  -0.358515D+00  0.113554D+01  0.216112D+00  0.898158D-01  0.585989D+00
      3   0.278017D+00 -0.475872D+00  0.898158D-01  0.629768D+00 -0.405514D+00
               206           207           208           209           210 
      1   0.585989D+00 -0.405514D+00 -0.163044D+01 -0.199141D-01  0.596260D+00
      2   0.157100D+01 -0.149752D+01 -0.199141D-01 -0.245917D+01 -0.112815D+01
      3  -0.149752D+01  0.704100D+01  0.596260D+00 -0.112815D+01 -0.827694D+00
               211           212           213           214           215 
      1  -0.196784D+01 -0.876667D+00 -0.663355D-01  0.918517D+00 -0.953441D+00
      2  -0.876667D+00 -0.593837D+01 -0.968313D+00 -0.953441D+00  0.890582D+00
      3  -0.663355D-01 -0.968313D+00 -0.114298D+01 -0.668399D+00 -0.146587D+00
               216           217           218           219           220 
      1  -0.668399D+00  0.397151D+00  0.986549D-01 -0.493889D+00  0.493715D+00
      2  -0.146587D+00  0.986549D-01 -0.722619D+00 -0.341169D+00 -0.115286D+01
      3  -0.285725D+00 -0.493889D+00 -0.341169D+00 -0.253081D+00 -0.456068D+00
               221           222           223           224           225 
      1  -0.115286D+01 -0.456068D+00 -0.154328D+01  0.586257D+00  0.336261D+00
      2   0.342945D+00 -0.561769D-01  0.586257D+00 -0.162594D+01 -0.152309D+01
      3  -0.561769D-01  0.631003D+00  0.336261D+00 -0.152309D+01 -0.703841D+01
               226           227           228           229           230 
      1   0.283521D+01  0.171226D+01  0.808597D-01  0.378232D+01  0.120392D+01
      2   0.171226D+01  0.228258D+01  0.407525D+00  0.120392D+01  0.323273D+01
      3   0.808597D-01  0.407525D+00  0.553775D+00  0.148776D+01  0.103575D+00
               231           232           233           234           235 
      1   0.148776D+01 -0.172487D+01  0.561065D+00 -0.264602D+00 -0.141735D+01
      2   0.103575D+00  0.561065D+00 -0.218770D+00  0.684508D+00  0.474494D+00
      3   0.128243D+01 -0.264602D+00  0.684508D+00  0.200950D+00 -0.229596D+00
               236           237           238           239           240 
      1   0.474494D+00 -0.229596D+00 -0.101392D-01  0.667119D+00  0.477914D-01
      2   0.521128D+00  0.831363D-01  0.667119D+00  0.594338D-01  0.762429D+00
      3   0.831363D-01 -0.743463D+00  0.477914D-01  0.762429D+00  0.145041D+00
               241           242           243           244           245 
      1   0.211056D+01 -0.294455D+00  0.153322D+01  0.141755D+01 -0.337769D+00
      2  -0.294455D+00  0.114694D+01  0.575220D+00 -0.337769D+00  0.255189D+00
      3   0.153322D+01  0.575220D+00  0.718460D+01  0.228311D+01  0.220161D+00
               246           247           248           249           250 
      1   0.228311D+01 -0.549128D+00  0.198438D+01  0.261905D+00  0.279770D+01
      2   0.220161D+00  0.198438D+01 -0.486091D+01 -0.462284D+01  0.649811D+00
      3   0.160332D+01  0.261905D+00 -0.462284D+01 -0.103548D+01  0.198555D+01
               251           252           253           254           255 
      1   0.649811D+00  0.198555D+01  0.539046D+00  0.139578D+01 -0.923694D+00
      2  -0.600375D+01 -0.187151D+01  0.139578D+01 -0.142411D+01 -0.862476D+00
      3  -0.187151D+01 -0.208104D+00 -0.923694D+00 -0.862476D+00 -0.125626D+01
               256           257           258           259           260 
      1   0.207459D+01 -0.414486D+01 -0.158218D+01 -0.305012D+00 -0.831219D+00
      2  -0.414486D+01  0.927025D+01  0.508684D+01 -0.831219D+00  0.286892D+01
      3  -0.158218D+01  0.508684D+01  0.127771D+01 -0.210714D+01  0.112153D+01
               261           262           263           264           265 
      1  -0.210714D+01  0.535388D+01  0.788317D+00 -0.255627D+01 -0.252039D-01
      2   0.112153D+01  0.788317D+00  0.267198D+01 -0.673717D+00  0.175264D+00
      3  -0.638450D+00 -0.255627D+01 -0.673717D+00  0.209176D+01  0.417998D+00
               266           267           268           269           270 
      1   0.175264D+00  0.417998D+00 -0.164094D+01  0.180228D+00  0.113304D+01
      2  -0.107028D+01  0.629692D+00  0.180228D+00  0.403466D+00  0.228655D-01
      3   0.629692D+00 -0.413585D+00  0.113304D+01  0.228655D-01 -0.181967D+01
               271           272           273           274           275 
      1  -0.493828D+00 -0.607858D+00 -0.672332D+00  0.904322D-01 -0.869391D+00
      2  -0.607858D+00 -0.250026D+01  0.113429D+01 -0.869391D+00 -0.174537D+00
      3  -0.672332D+00  0.113429D+01 -0.208890D+01  0.412955D+00 -0.195362D+00
               276           277           278           279           280 
      1   0.412955D+00 -0.110956D+01 -0.123866D+00 -0.432498D+00  0.419397D+01
      2  -0.195362D+00 -0.123866D+00 -0.175608D+01  0.134779D+01  0.122326D+01
      3   0.494806D+00 -0.432498D+00  0.134779D+01 -0.569671D+01  0.156984D+01
               281           282           283           284           285 
      1   0.122326D+01  0.156984D+01  0.509398D+00  0.121992D+01  0.992419D-01
      2   0.226191D+01  0.383099D+00  0.121992D+01  0.929003D+00  0.272554D+00
      3   0.383099D+00  0.151242D+01  0.992419D-01  0.272554D+00  0.289060D+00
               286           287           288           289           290 
      1   0.267039D+01  0.520143D+00  0.173084D+01  0.103017D+01  0.171379D+01
      2   0.520143D+00  0.101869D+01  0.935035D+00  0.171379D+01  0.124250D+01
      3   0.173084D+01  0.935035D+00  0.217757D+01 -0.401268D+00 -0.542746D+00
               291           292           293           294           295 
      1  -0.401268D+00  0.156827D+01  0.180811D+01 -0.630103D+00 -0.487516D+00
      2  -0.542746D+00  0.180811D+01  0.941785D+01 -0.305457D+01 -0.134668D+01
      3   0.503148D+00 -0.630103D+00 -0.305457D+01  0.204056D+01  0.100742D+01
               296           297           298           299           300 
      1  -0.134668D+01  0.100742D+01 -0.814471D+00  0.163209D+01  0.354118D+00
      2  -0.529942D+01  0.315420D+01  0.163209D+01 -0.968048D+00 -0.422325D+00
      3   0.315420D+01 -0.257749D+01  0.354118D+00 -0.422325D+00 -0.411536D+00
               301           302           303           304           305 
      1   0.146110D+01 -0.152752D+01 -0.510127D+00  0.377629D+00 -0.112807D+01
      2  -0.152752D+01  0.961623D+01  0.309950D+01 -0.112807D+01  0.540851D+01
      3  -0.510127D+00  0.309950D+01  0.205963D+01 -0.866209D+00  0.319430D+01
               306           307           308           309           310 
      1  -0.866209D+00 -0.406194D+01  0.125216D+01 -0.154612D+01  0.584321D+00
      2   0.319430D+01  0.125216D+01 -0.232138D+01  0.442253D+00 -0.125224D+01
      3   0.257533D+01 -0.154612D+01  0.442253D+00 -0.149785D+01  0.156292D+00
               311           312           313           314           315 
      1  -0.125224D+01  0.156292D+00 -0.262082D+01  0.593078D+00 -0.168730D+01
      2   0.114742D+01 -0.294232D+00  0.593078D+00 -0.106216D+01  0.101186D+01
      3  -0.294232D+00  0.355862D+00 -0.168730D+01  0.101186D+01 -0.217703D+01
               316           317           318           319           320 
      1  -0.527299D+01  0.899164D+00  0.254080D+01  0.195213D+00 -0.258134D+00
      2   0.899164D+00 -0.279069D+01 -0.816480D+00 -0.258134D+00 -0.925677D+00
      3   0.254080D+01 -0.816480D+00 -0.210982D+01  0.276056D+00 -0.612247D+00
               321           322           323           324           325 
      1   0.276056D+00  0.165568D+01  0.871220D-01 -0.113294D+01  0.452588D+00
      2  -0.612247D+00  0.871220D-01 -0.414144D+00  0.748130D-01 -0.478301D+00
      3  -0.319023D+00 -0.113294D+01  0.748130D-01  0.182241D+01  0.741322D+00
               326           327           328           329           330 
      1  -0.478301D+00  0.741322D+00  0.146999D+00  0.876711D+00  0.388454D+00
      2   0.253710D+01  0.110950D+01  0.876711D+00 -0.364247D+00  0.127655D+00
      3   0.110950D+01  0.210878D+01  0.388454D+00  0.127655D+00  0.402412D+00
               331           332           333 
      1   0.109937D+01 -0.940618D-01  0.494077D+00
      2  -0.940618D-01  0.176073D+01  0.132588D+01
      3   0.494077D+00  0.132588D+01  0.569164D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.442313D-01  0.198346D+01 -0.288206D+01  0.264563D+01  0.542916D+01
      2   0.202146D+01 -0.165519D+00  0.964990D+01  0.102065D+00 -0.117208D+02
      3  -0.351657D+01 -0.999962D+01 -0.189032D+01 -0.539402D+01  0.542465D+01
                 6             7             8             9            10 
      1  -0.275359D+01  0.123104D+00 -0.759245D+00  0.100708D+00 -0.373261D+01
      2  -0.304598D+01  0.218236D+01  0.898347D+00 -0.984812D+00  0.929035D+01
      3   0.920270D+01 -0.217793D+01  0.982341D+01  0.294114D+01  0.370578D+01
                11            12            13            14            15 
      1   0.483250D+01 -0.110538D+00  0.417127D+01 -0.127210D+01 -0.750166D+01
      2  -0.402677D+01  0.448434D+01 -0.462155D+01  0.518258D+00  0.581416D+01
      3   0.620235D+01  0.722308D+01  0.101642D+02 -0.523271D+01 -0.630341D+01
                16            17            18            19            20 
      1  -0.127344D+01 -0.129614D+01 -0.990748D+00  0.310695D+00 -0.117480D+01
      2   0.133696D+01  0.242141D+00  0.107590D+01 -0.121775D+02 -0.513094D+01
      3   0.728825D+01 -0.722001D+01 -0.281774D+01 -0.134143D+02 -0.106843D+02
                21            22            23            24            25 
      1   0.627438D+01  0.642425D+01  0.193326D+02 -0.431333D+01  0.108973D+02
      2  -0.894798D+00 -0.356307D+01  0.451847D+01 -0.564064D+01 -0.106246D+02
      3   0.306920D+01  0.513002D+01  0.208942D+02 -0.698236D+01  0.312224D+01
                26            27            28            29            30 
      1   0.151419D+02 -0.189897D+02 -0.176075D+00 -0.363820D+01  0.209436D-01
      2  -0.966848D+01  0.109728D+02 -0.350986D+01  0.231435D+00  0.333581D+01
      3  -0.160653D+01  0.620722D+00 -0.208801D-01 -0.646347D+01 -0.209280D-01
                31            32            33            34            35 
      1  -0.173320D+01  0.169365D+00 -0.300547D+01 -0.621994D-01  0.444789D+01
      2   0.825249D-01  0.107201D+01  0.379120D-02 -0.421727D+01  0.966539D-01
      3   0.432474D+01  0.161034D-01  0.140168D+01  0.365955D-01  0.844116D+00
                36            37            38            39            40 
      1   0.668063D-01 -0.639731D+00 -0.178230D+01 -0.643828D+01  0.577652D+01
      2  -0.484438D+00 -0.117400D+02  0.588938D+01 -0.371523D+00  0.404522D+01
      3  -0.229337D-01  0.130663D+02 -0.121778D+02 -0.333797D+01  0.362387D+01
                41            42            43            44            45 
      1  -0.193418D+02 -0.376967D+01 -0.106151D+02  0.160673D+02  0.194096D+02
      2   0.493197D+01  0.583832D+01 -0.970701D+01  0.939730D+01  0.100908D+02
      3  -0.205824D+02 -0.682464D+01 -0.317534D+01 -0.140364D+01 -0.623929D+00
                46            47            48            49            50 
      1   0.453773D+01  0.485935D+01 -0.456066D-01  0.422535D+01  0.889431D+00
      2   0.947287D+01  0.342804D+01  0.423525D+01  0.404216D+01  0.127505D+00
      3  -0.300728D+01  0.652247D+01 -0.750020D+01  0.104998D+02  0.448409D+01
                51            52            53            54            55 
      1  -0.775663D+01  0.126806D+01 -0.137345D+01  0.105106D+01  0.223071D+00
      2  -0.567653D+01  0.126475D+01 -0.251195D+00  0.104635D+01  0.202253D+01
      3  -0.598401D+01 -0.759409D+01 -0.691516D+01  0.283793D+01  0.289222D+01
                56            57            58            59            60 
      1   0.171511D+01  0.317070D+01  0.237396D+01 -0.612877D+01 -0.275777D+01
      2  -0.500881D+00  0.964390D+01 -0.789543D+00 -0.114419D+02  0.275741D+01
      3  -0.103343D+02  0.228733D+01 -0.572125D+01 -0.472292D+01  0.910703D+01
                61            62            63            64            65 
      1  -0.738512D-01 -0.791326D+00 -0.153213D+00 -0.657322D+01 -0.971285D+01
      2   0.214083D+01 -0.942672D+00 -0.988766D+00  0.167193D+02 -0.225699D+01
      3   0.261090D+01  0.972069D+01 -0.295273D+01  0.101854D+02  0.855000D+01
                66            67            68            69            70 
      1  -0.521958D+01 -0.144576D+02  0.231639D+01 -0.571856D+01 -0.258342D+01
      2  -0.691172D+00  0.492739D+01  0.524569D+01  0.504426D+01 -0.227722D+02
      3   0.434153D+01  0.233994D+02 -0.211400D+01  0.602981D+01 -0.304850D+00
                71            72            73            74            75 
      1   0.225670D+01 -0.241847D+00  0.624820D+01 -0.998120D+01  0.494920D+01
      2   0.218717D+01 -0.225775D+02  0.164188D+02  0.222483D+01 -0.111692D+01
      3   0.397527D+01  0.768028D+00 -0.882138D+01  0.905944D+01 -0.409775D+01
                76            77            78            79            80 
      1  -0.150713D+02 -0.107081D+01 -0.616619D+01  0.172812D+01  0.208035D+01
      2  -0.471053D+01  0.546421D+01 -0.475219D+01 -0.229184D+02 -0.133469D+01
      3   0.239318D+02  0.766306D+00  0.622541D+01  0.404426D+00  0.396480D+01
                81            82            83            84            85 
      1  -0.730259D+00 -0.456542D+01  0.322197D+01  0.182025D+01  0.414398D+00
      2  -0.225762D+02 -0.130070D+02 -0.117350D+02  0.121327D+02 -0.448553D+01
      3  -0.774497D+00 -0.180113D+02 -0.194410D+02  0.128126D+02 -0.371395D+01
                86            87            88            89            90 
      1   0.124260D+02  0.429133D+01  0.702456D+01  0.196575D+02 -0.127912D+02
      2  -0.611146D-01 -0.382661D+01 -0.225021D+01 -0.117216D+02  0.101330D+02
      3   0.965496D+01  0.989727D+00  0.696077D+01 -0.158635D+01  0.251089D+01
                91            92            93            94            95 
      1   0.725460D+01  0.274925D+01  0.752093D+01  0.465775D+01 -0.903732D+01
      2  -0.195735D+01  0.112781D+01 -0.375901D+00 -0.858439D-01  0.246225D+01
      3  -0.813162D+01 -0.106634D+01 -0.560850D+01  0.506104D+01  0.128038D+01
                96            97            98            99           100 
      1  -0.480515D+01  0.591737D+01 -0.159362D+01  0.118877D+01  0.115635D+01
      2  -0.553662D+00 -0.360411D+01  0.244673D+00 -0.330427D+00 -0.330486D+01
      3  -0.712453D+01 -0.101703D+02 -0.682922D+01 -0.628947D+01 -0.855942D+01
               101           102           103           104           105 
      1   0.197713D+01  0.307462D+01 -0.269952D+00  0.111879D+01 -0.106137D+01
      2   0.155064D+01  0.501883D+01 -0.197975D+01  0.192542D+01 -0.157523D+01
      3  -0.407623D+01 -0.353146D+01 -0.580042D+00 -0.382412D+00 -0.182139D+01
               106           107           108           109           110 
      1   0.219391D+01  0.104614D+01  0.151623D+01  0.144917D+01 -0.147897D+01
      2   0.207437D+01 -0.517510D+00  0.255787D+01  0.507290D+01  0.221547D+01
      3  -0.168805D+01 -0.279252D+01 -0.106150D+01  0.533928D+01  0.548779D+01
               111           112           113           114           115 
      1  -0.202503D+01 -0.348241D+00 -0.147133D+01 -0.322216D+01 -0.351377D+00
      2  -0.366981D+01  0.159777D+01  0.652128D+01 -0.648846D+01 -0.340838D+01
      3  -0.353842D+01  0.508080D+01  0.127934D+02 -0.640870D+01 -0.190963D+01
               116           117           118           119           120 
      1   0.270620D+00  0.220021D+01 -0.788331D+00 -0.336989D+00  0.219873D+01
      2  -0.482974D+01  0.603827D+01 -0.104575D+01  0.638136D+00  0.374695D+01
      3  -0.537040D+01  0.567735D+01  0.299028D+00 -0.394802D+01  0.688342D-01
               121           122           123           124           125 
      1  -0.261776D+01  0.280926D+01 -0.256699D+01  0.125219D+01 -0.419549D+00
      2  -0.297062D+01 -0.617528D+00 -0.380636D+01  0.895505D+00 -0.291668D+01
      3  -0.438933D+00  0.930523D+01  0.394286D+01  0.161836D+01  0.272463D+01
               126           127           128           129           130 
      1  -0.146185D+01 -0.422499D+01 -0.182597D+01  0.278082D+01 -0.267427D+01
      2  -0.230596D+01 -0.220348D+01  0.247322D+00  0.386975D+01  0.100603D+01
      3   0.105518D+01 -0.736675D+01 -0.634302D+01  0.426213D+01 -0.651833D+01
               131           132           133           134           135 
      1  -0.583013D+01  0.381787D+01  0.261251D+01  0.449333D+01 -0.424235D+01
      2  -0.338783D+01  0.578204D+01  0.104915D+01  0.260094D+01 -0.482380D+01
      3  -0.111806D+02  0.592523D+01  0.392205D+01  0.439255D+01 -0.567134D+01
               136           137           138           139           140 
      1   0.615540D+00 -0.510817D+00 -0.213611D+01 -0.263816D+01 -0.270346D+01
      2  -0.975882D+00 -0.606469D+00  0.400722D+01  0.310520D+01 -0.602245D+00
      3  -0.503854D+00 -0.433017D+01  0.102862D+00 -0.825463D+00 -0.909222D+01
               141           142           143           144           145 
      1  -0.230896D+01 -0.122165D+01 -0.238018D+00  0.136205D+01  0.392973D+01
      2   0.374696D+01  0.107383D+01  0.288956D+01 -0.237151D+01 -0.242523D+01
      3   0.394470D+01 -0.149934D+01  0.279320D+01 -0.106013D+01  0.682366D+01
               146           147           148           149           150 
      1  -0.177272D+01 -0.244864D+01 -0.264086D+01  0.588249D+01  0.366577D+01
      2  -0.219302D+00  0.373144D+01 -0.943906D+00 -0.358777D+01 -0.610619D+01
      3  -0.618261D+01 -0.399936D+01 -0.634525D+01  0.117583D+02  0.610565D+01
               151           152           153           154           155 
      1  -0.236824D+01  0.448052D+01  0.401209D+01 -0.122278D+01  0.191667D+01
      2   0.103599D+01 -0.284155D+01 -0.498529D+01 -0.321381D+01 -0.140863D+01
      3  -0.372013D+01  0.456298D+01  0.566501D+01  0.833125D+01 -0.441525D+01
               156           157           158           159           160 
      1  -0.289987D+01 -0.180265D+00 -0.110896D+01 -0.869533D+00 -0.205110D+01
      2   0.521855D+01  0.221569D+01  0.195000D+01  0.139851D+01  0.218603D+01
      3   0.344897D+01 -0.916947D+00  0.588761D+00 -0.197367D+01  0.155917D+01
               161           162           163           164           165 
      1   0.116042D+01 -0.140732D+01 -0.130383D+01 -0.144265D+01  0.173774D+01
      2   0.376625D+00  0.262995D+01  0.498290D+01 -0.209753D+01 -0.346942D+01
      3  -0.286934D+01  0.106092D+01 -0.491791D+01  0.516654D+01  0.326603D+01
               166           167           168           169           170 
      1  -0.282026D+00  0.183762D+01 -0.302262D+01  0.226181D+00  0.469015D+00
      2  -0.154638D+01  0.661712D+01  0.677600D+01 -0.321653D+01  0.495385D+01
      3   0.478097D+01 -0.132595D+02 -0.656137D+01  0.168246D+01 -0.544436D+01
               171           172           173           174           175 
      1  -0.193265D+01 -0.217902D+01  0.272514D+01 -0.265288D+00  0.394918D+01
      2   0.611317D+01 -0.189860D+01  0.161530D+01  0.187477D+01  0.503386D+01
      3  -0.567490D+01  0.272326D+01 -0.484792D+01  0.463833D+00 -0.341837D+01
               176           177           178           179           180 
      1  -0.750536D+01  0.991681D-01  0.117013D+01 -0.617102D+00 -0.392697D+00
      2  -0.152605D+01 -0.185285D+00  0.345316D+01 -0.104729D+01  0.778717D+00
      3   0.102458D+02 -0.118145D+01 -0.286686D+00  0.234886D+01  0.645703D+00
               181           182           183           184           185 
      1  -0.205315D+01 -0.786698D+00 -0.924674D+00  0.102709D+00 -0.638575D+00
      2   0.813046D+00  0.833707D+00 -0.292131D+01 -0.629240D+00  0.183449D+01
      3   0.156318D+01 -0.812088D-02  0.424345D+00  0.647260D+00  0.637350D+00
               186           187           188           189           190 
      1   0.646661D+00  0.101366D+01  0.291632D+01 -0.371100D+00  0.345133D+00
      2  -0.419229D+00 -0.953587D-01 -0.238209D+01  0.153779D+02 -0.312755D+01
      3  -0.163624D+01 -0.136872D+01 -0.260401D+01  0.159347D+01 -0.404296D+01
               191           192           193           194           195 
      1   0.441472D+01 -0.650018D+00  0.103825D+01 -0.704991D+01 -0.132898D+01
      2   0.202918D+01  0.741033D-01  0.291532D+01 -0.314363D+01  0.140076D+01
      3   0.440023D+01 -0.144252D+01  0.570562D+01 -0.862674D+01  0.137517D+01
               196           197           198           199           200 
      1  -0.666934D+00 -0.321085D+01  0.498558D-01  0.583733D+00 -0.112184D+01
      2   0.760427D-03  0.856122D+00 -0.709823D+00 -0.178881D+01  0.314546D+00
      3   0.139341D+01 -0.112798D+01 -0.756124D+00 -0.110236D+01 -0.970259D+00
               201           202           203           204           205 
      1   0.114096D+01 -0.591859D+00  0.132564D+00  0.261512D+01 -0.147420D+00
      2  -0.909818D+00 -0.107529D+01 -0.160429D+01 -0.428941D+00 -0.327421D+01
      3  -0.117270D+01 -0.285082D+00 -0.107197D+01  0.124063D+01 -0.290626D+01
               206           207           208           209           210 
      1  -0.655402D+00  0.126955D+02 -0.232609D+00  0.464102D+01  0.576567D+00
      2   0.124174D+01 -0.870737D+01 -0.332934D+01 -0.221457D+01  0.253494D-02
      3   0.240818D+00 -0.139262D+01  0.450139D+01  0.456536D+01  0.148687D+01
               211           212           213           214           215 
      1   0.122513D+01  0.665923D+01 -0.142655D+01  0.524477D+00 -0.329330D+01
      2  -0.295515D+01 -0.321419D+01 -0.133996D+01 -0.431968D-01 -0.706096D+00
      3   0.589207D+01  0.818002D+01  0.130012D+01 -0.145214D+01 -0.107417D+01
               216           217           218           219           220 
      1  -0.806934D-01 -0.734398D+00 -0.111654D+01 -0.107057D+01 -0.514230D+00
      2  -0.707148D+00 -0.172601D+01 -0.261621D+00 -0.847482D+00  0.110444D+01
      3   0.753037D+00  0.105167D+01 -0.964812D+00  0.123058D+01 -0.279444D+00
               221           222           223           224           225 
      1  -0.128590D+00  0.265579D+01 -0.282344D-01 -0.735788D+00 -0.130578D+02
      2  -0.163890D+01  0.340671D+00 -0.331880D+01 -0.108016D+01 -0.814189D+01
      3   0.112664D+01  0.118546D+01  0.291614D+01  0.117343D+00  0.141026D+01
               226           227           228           229           230 
      1   0.234873D+01  0.289123D+01  0.322819D+00  0.393379D+01  0.719285D+01
      2  -0.226564D+01 -0.174303D+01  0.189515D+01 -0.517207D+01 -0.157778D+01
      3  -0.304603D+01 -0.517185D+01 -0.477768D+00 -0.371667D+01 -0.993574D+01
               231           232           233           234           235 
      1   0.752980D-01 -0.105010D+01 -0.523508D+00  0.418045D+00  0.204713D+01
      2   0.115976D+00  0.354851D+01  0.923823D+00  0.766086D+00  0.713918D+00
      3  -0.113369D+01  0.401740D+00  0.234293D+01 -0.644145D+00 -0.153600D+01
               236           237           238           239           240 
      1  -0.875341D+00  0.827299D+00  0.696727D-01  0.746953D+00  0.628011D+00
      2  -0.747215D+00 -0.294368D+01  0.678728D+00  0.181354D+01  0.516758D+00
      3   0.329190D-01 -0.498021D+00  0.689262D+00 -0.663878D+00 -0.161533D+01
               241           242           243           244           245 
      1  -0.887466D+00  0.305021D+01  0.103129D+01 -0.697671D+01  0.341521D+01
      2   0.515330D-01  0.225341D+01  0.153389D+02 -0.167937D+01 -0.108272D+01
      3   0.125705D+01 -0.266217D+01 -0.158942D+01  0.830046D+01 -0.148894D+01
               246           247           248           249           250 
      1  -0.773564D+01  0.536424D+01  0.877427D+01 -0.443834D+01 -0.613190D+01
      2  -0.949303D-02  0.447704D-01  0.211032D+01  0.762212D+00 -0.334132D+01
      3   0.528863D+01  0.463603D+01 -0.143344D+01 -0.736037D+01  0.986132D+01
               251           252           253           254           255 
      1  -0.133560D+01 -0.119815D+01  0.414439D+01  0.299527D+01 -0.108290D+01
      2  -0.272710D-01 -0.278338D+00 -0.124304D+02  0.121358D+02  0.123388D+02
      3  -0.728983D+01  0.628414D+01  0.169049D+02 -0.206140D+02 -0.127467D+02
               256           257           258           259           260 
      1  -0.138818D+00 -0.125764D+02  0.450673D+01 -0.622281D+01  0.204351D+02
      2   0.502306D+01 -0.243510D+00  0.308149D+01 -0.146210D+01  0.108921D+02
      3  -0.487546D+01 -0.858920D+01  0.156858D+01 -0.700159D+01 -0.127019D+01
               261           262           263           264           265 
      1   0.131914D+02  0.513118D+01 -0.358435D+01 -0.374074D+01 -0.163866D+01
      2   0.952888D+01  0.701884D+01  0.558418D+00 -0.133507D+01 -0.220302D+01
      3  -0.249098D+01  0.119541D+02 -0.327292D+01 -0.522353D+01 -0.307478D+01
               266           267           268           269           270 
      1   0.286307D+01 -0.612002D-01 -0.310075D+01  0.118244D+01  0.290089D+01
      2  -0.632115D+00  0.687759D+00 -0.939645D+00  0.230138D+00  0.282307D+00
      3   0.236316D+01  0.141819D+01 -0.248793D+01 -0.269751D+00  0.300535D+01
               271           272           273           274           275 
      1   0.136542D+01  0.125087D+01  0.372546D+01 -0.520542D+00  0.344501D+00
      2  -0.144920D+01  0.283336D+01 -0.460674D+01  0.114407D+01  0.298090D+00
      3  -0.540047D+00  0.277566D+01 -0.303443D+01  0.176118D+01  0.802881D+00
               276           277           278           279           280 
      1  -0.565023D+00  0.706211D+00  0.525635D+00  0.898956D+01 -0.665859D+01
      2  -0.841192D-01 -0.282903D+01  0.202293D+01 -0.785824D+01  0.249461D+01
      3   0.427561D+00 -0.142683D+01  0.208747D+01 -0.221646D+01  0.140910D+02
               281           282           283           284           285 
      1  -0.125447D+01 -0.546660D+01 -0.463576D+00 -0.114702D+01 -0.949774D+00
      2   0.525680D+00  0.363506D+01  0.873720D-01  0.490786D+00  0.102122D+00
      3  -0.117278D+01  0.571811D+01 -0.782267D-01  0.472934D+01 -0.252087D+00
               286           287           288           289           290 
      1  -0.618879D+01 -0.761095D+00 -0.871623D+01  0.867780D-01  0.438138D+00
      2   0.119623D+01  0.130637D+01  0.335823D+01  0.146397D+00  0.291315D+00
      3   0.979236D+01 -0.517409D+00  0.491154D+01  0.217108D+01  0.353289D+01
               291           292           293           294           295 
      1  -0.181088D+01  0.165423D+01  0.384233D+01 -0.713449D+01 -0.156896D+01
      2   0.803461D+00  0.292352D+00 -0.174372D+01  0.175200D+01 -0.812991D+00
      3  -0.101110D+01  0.530712D+01 -0.294061D+01  0.153850D+00 -0.941202D+00
               296           297           298           299           300 
      1  -0.177887D+01  0.697509D+01  0.239268D-02  0.246524D+00  0.152219D+01
      2   0.161557D+01 -0.173823D+01  0.117217D+00 -0.385523D+00  0.657478D+00
      3   0.368542D+01  0.346222D+00 -0.176953D+01  0.374547D+01  0.101829D+01
               301           302           303           304           305 
      1   0.146681D+01 -0.399891D+01 -0.727936D+01  0.144899D+01 -0.191778D+01
      2  -0.438872D+00 -0.153652D+01 -0.146410D+01 -0.947854D+00 -0.149256D+01
      3   0.551753D+01  0.253469D+01  0.105363D+00  0.110361D+01  0.364003D+01
               306           307           308           309           310 
      1  -0.704402D+01  0.666767D+01 -0.153778D+01  0.556936D+01 -0.717433D+00
      2  -0.142740D+01  0.216779D+01 -0.548758D+00  0.338166D+01 -0.140783D+00
      3  -0.347404D+00 -0.141268D+02 -0.731269D+00 -0.571659D+01  0.354822D+00
               311           312           313           314           315 
      1   0.123884D+01 -0.120828D+01  0.618458D+01 -0.110245D+01  0.885015D+01
      2   0.463260D+00 -0.211981D+00  0.860473D+00 -0.130834D+01  0.296733D+01
      3  -0.467203D+01  0.114245D-01 -0.979683D+01 -0.598142D-01 -0.490528D+01
               316           317           318           319           320 
      1  -0.503166D+01 -0.350061D+01  0.366882D+01 -0.143794D+01 -0.265108D+01
      2   0.729667D+01 -0.753684D+00 -0.152834D+01  0.191509D+01 -0.576997D+00
      3  -0.122016D+02 -0.281804D+01  0.528730D+01 -0.262124D+01 -0.208927D+01
               321           322           323           324           325 
      1  -0.258537D+00  0.310156D+01  0.102896D+01 -0.289180D+01 -0.139875D+01
      2  -0.615637D+00 -0.109935D+01 -0.235286D+00  0.404766D+00 -0.153999D+01
      3   0.118251D+01  0.247878D+01 -0.382529D+00 -0.300603D+01  0.734871D+00
               326           327           328           329           330 
      1   0.116149D+01 -0.394876D+01 -0.530348D+00 -0.344696D+00 -0.379602D+00
      2  -0.280583D+01 -0.441819D+01 -0.105197D+01  0.492272D+00  0.299887D+00
      3   0.270742D+01  0.304726D+01  0.169383D+01 -0.999454D+00  0.294717D+00
               331           332           333 
      1  -0.801439D+00  0.467252D+00 -0.931508D+01
      2  -0.286587D+01 -0.192337D+01 -0.743924D+01
      3   0.149816D+01  0.203085D+01  0.221077D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.428183D+02 -0.731998D+01 -0.241543D+02 -0.313824D+01  0.179021D+02
      2   0.271437D+02  0.867047D+01  0.133621D+02  0.652359D+01 -0.936068D+01
      3   0.156746D+02 -0.135049D+01  0.107922D+02 -0.338535D+01 -0.854142D+01
      4  -0.178519D+02  0.825893D+01 -0.852445D+01  0.105085D+02  0.504583D+01
      5  -0.270941D+02 -0.205536D+01 -0.513183D+01  0.293081D+01 -0.846685D+01
      6  -0.749380D+01  0.552211D+01  0.165622D+00  0.392475D+01 -0.928613D+01
                 6             7             8             9            10 
      1   0.712618D+01 -0.191680D+02  0.604789D+01 -0.785448D+00  0.943328D+01
      2  -0.937963D+01  0.108475D+02 -0.811984D+01 -0.347462D+01 -0.647190D+01
      3   0.225345D+01  0.832050D+01  0.207195D+01  0.426007D+01 -0.296138D+01
      4  -0.835203D+01 -0.433874D+01 -0.611181D+01 -0.357419D+01 -0.184096D+01
      5  -0.460699D+01 -0.576222D+01 -0.315250D+01  0.203778D+01  0.113557D+02
      6  -0.909045D+01  0.613883D-01 -0.705112D+01 -0.864950D+00  0.852676D+01
                11            12            13            14            15 
      1   0.212879D+01  0.137038D+02  0.274999D+00 -0.170388D+02 -0.286094D+01
      2  -0.107920D+02 -0.552042D+01 -0.112849D+02  0.406507D+01  0.101374D+02
      3   0.866318D+01 -0.818333D+01  0.110099D+02  0.129737D+02 -0.727644D+01
      4  -0.230104D+02  0.706976D+01 -0.274002D+02 -0.239436D+02  0.183223D+02
      5   0.103391D+00 -0.880925D+01  0.155986D+01  0.207701D+02  0.393511D+01
      6   0.505290D+01 -0.849514D+00  0.100536D+02  0.118001D+02 -0.280405D+01
                16            17            18            19            20 
      1   0.965079D+01 -0.422978D+01 -0.522155D+01  0.200291D+01  0.345583D+01
      2  -0.303182D+01  0.964233D+01  0.177647D+01 -0.501787D+01  0.149954D+01
      3  -0.661897D+01 -0.541255D+01  0.344508D+01  0.301496D+01 -0.495537D+01
      4   0.443560D+01  0.141341D+02  0.663709D+00  0.795579D+01  0.139628D+02
      5  -0.749332D+01  0.221519D+01 -0.110133D+01 -0.429879D+01 -0.276626D+01
      6  -0.111784D+01 -0.373825D+01 -0.237937D+01 -0.769213D+01 -0.637870D+01
                21            22            23            24            25 
      1  -0.720053D+01 -0.143326D+01  0.153182D+02 -0.764347D+00 -0.132768D+01
      2   0.459834D+01  0.400180D+01 -0.184810D+02  0.242431D+01  0.178181D+01
      3   0.260218D+01 -0.256854D+01  0.316283D+01 -0.165997D+01 -0.454126D+00
      4  -0.903263D+01  0.861051D+01  0.862359D+01 -0.492302D+01 -0.456920D+01
      5   0.429673D+01 -0.109798D+01 -0.661778D+01  0.249581D+01  0.466001D+01
      6   0.207103D+01 -0.648776D+01 -0.788442D+00  0.510892D+01  0.834254D+00
                26            27            28            29            30 
      1  -0.138531D+01  0.978480D+01 -0.890219D+01  0.882851D-01  0.465388D+01
      2   0.139182D+01  0.448115D+01  0.220249D+01 -0.801942D-01 -0.591630D+01
      3  -0.650483D-02 -0.142659D+02  0.669970D+01 -0.809091D-02  0.126243D+01
      4  -0.191283D+01  0.138816D+01  0.555707D-01 -0.442173D+01 -0.350041D+00
      5   0.539079D+00  0.542788D+01  0.287850D+01 -0.205614D+00 -0.197477D+01
      6   0.372326D+01  0.536661D+01 -0.195547D+00 -0.333871D+01 -0.165244D-02
                31            32            33            34            35 
      1  -0.159745D-01  0.169611D+01 -0.365416D+00  0.778423D+01 -0.518827D+00
      2   0.244947D-01 -0.770641D+01  0.402187D+00 -0.848403D+01  0.537447D+00
      3  -0.852018D-02  0.601030D+01 -0.367711D-01  0.699793D+00 -0.186200D-01
      4  -0.585606D+01 -0.196315D-01 -0.597275D+01 -0.531361D+00 -0.818206D+01
      5  -0.194080D+00 -0.347193D+01  0.590278D-02  0.442424D+01 -0.231414D-01
      6  -0.317267D+01  0.235635D+00 -0.161461D+01 -0.203375D-01  0.329690D+01
                36            37            38            39            40 
      1  -0.229900D+00  0.130071D+01 -0.168058D+01 -0.637003D+01  0.274573D+01
      2  -0.550009D+00 -0.463338D+01 -0.328207D+01  0.371614D+01 -0.532078D+01
      3   0.779909D+00  0.333267D+01  0.496266D+01  0.265389D+01  0.257505D+01
      4  -0.185851D-02 -0.725990D+01  0.138733D+02  0.926670D+01  0.819914D+01
      5   0.825567D+00 -0.381035D+01  0.235370D+01  0.409643D+01  0.681651D+00
      6  -0.250200D-01  0.728663D+01 -0.673825D+01 -0.203352D+01 -0.677335D+01
                41            42            43            44            45 
      1   0.144627D+02  0.604095D+00 -0.885436D+00  0.125765D+01  0.967432D+01
      2  -0.173077D+02 -0.210037D+01  0.134906D+01 -0.122835D+01  0.459066D+01
      3   0.284503D+01  0.149628D+01 -0.463629D+00 -0.292986D-01 -0.142650D+02
      4  -0.110309D+02 -0.543962D+01  0.461665D+01 -0.222941D+01 -0.160113D+01
      5  -0.670919D+01 -0.242312D+01  0.459965D+01 -0.549055D+00  0.517492D+01
      6   0.168888D+01  0.530052D+01 -0.870676D+00  0.376848D+01 -0.563615D+01
                46            47            48            49            50 
      1   0.927649D+01 -0.511970D+01  0.132156D+02 -0.363978D+01 -0.145437D+02
      2  -0.547967D+01  0.130732D+02 -0.538657D+01  0.139519D+02  0.735451D+00
      3  -0.379682D+01 -0.795348D+01 -0.782907D+01 -0.103121D+02  0.138083D+02
      4  -0.949164D+00 -0.212421D+02 -0.708372D+01 -0.256667D+02  0.269010D+02
      5   0.109281D+02  0.531076D+00 -0.894195D+01 -0.703642D+00  0.202447D+02
      6  -0.835462D+01  0.484987D+01  0.111770D+01  0.990848D+01 -0.133478D+02
                51            52            53            54            55 
      1   0.385798D+01  0.945707D+01  0.502682D+01 -0.528601D+01 -0.405787D+02
      2  -0.114931D+02 -0.310479D+01 -0.107245D+02  0.185268D+01  0.247306D+02
      3   0.763512D+01 -0.635228D+01  0.569771D+01  0.343332D+01  0.158481D+02
      4   0.179943D+02 -0.435911D+01  0.136597D+02 -0.385801D+00  0.214978D+02
      5  -0.370500D+01 -0.753373D+01 -0.209349D+01 -0.962186D+00 -0.267103D+02
      6  -0.266369D+01  0.127465D+01 -0.367200D+01  0.242843D+01  0.903194D+01
                56            57            58            59            60 
      1   0.104639D+02 -0.236485D+02  0.645861D+01  0.167730D+02 -0.682452D+01
      2  -0.107674D+02  0.129665D+02 -0.881137D+01 -0.806784D+01  0.952117D+01
      3   0.303502D+00  0.106820D+02  0.235276D+01 -0.870520D+01 -0.269666D+01
      4   0.634198D+01  0.974566D+01  0.887509D+01 -0.690920D+01 -0.802152D+01
      5   0.307552D+01 -0.491719D+01 -0.198975D+01 -0.806396D+01  0.443476D+01
      6   0.545322D+01 -0.361990D+00  0.407879D+01  0.923108D+01 -0.928179D+01
                61            62            63            64            65 
      1  -0.189717D+02 -0.575056D+01 -0.439354D+00  0.104092D+02 -0.657050D+01
      2   0.107647D+02  0.815969D+01 -0.380790D+01 -0.961109D+01  0.572704D+01
      3   0.820696D+01 -0.240913D+01  0.424725D+01 -0.798109D+00  0.843456D+00
      4   0.534435D+01 -0.570203D+01  0.344507D+01 -0.203799D+02 -0.549813D+01
      5  -0.560204D+01  0.310223D+01  0.206674D+01  0.111599D+02 -0.491394D+01
      6  -0.135512D+00 -0.720267D+01  0.797508D+00 -0.359790D+01 -0.423055D+01
                66            67            68            69            70 
      1   0.641230D+01 -0.109187D+02 -0.824063D+01 -0.372935D+01  0.333819D+01
      2  -0.616753D+01  0.755950D+01  0.157368D+01  0.162876D+01 -0.296261D+01
      3  -0.244768D+00  0.335923D+01  0.666694D+01  0.210058D+01 -0.375579D+00
      4  -0.858547D+01  0.105214D+01 -0.514851D+01  0.693144D+01 -0.405587D+01
      5   0.736202D+01 -0.571894D+01  0.218481D+01 -0.123074D+01  0.463743D+01
      6  -0.122196D+01 -0.203539D+01 -0.203885D+01  0.298183D+01 -0.103906D+01
                71            72            73            74            75 
      1  -0.134611D+01  0.801478D+01  0.128048D+02  0.520053D+01  0.731239D+01
      2   0.283286D+01  0.742224D+01 -0.118599D+02 -0.468325D+01 -0.697570D+01
      3  -0.148675D+01 -0.154370D+02 -0.944882D+00 -0.517273D+00 -0.336687D+00
      4   0.217730D+01 -0.423711D+01  0.191513D+02 -0.661585D+01  0.828948D+01
      5  -0.154814D+01 -0.767523D+01  0.117400D+02  0.432694D+01  0.746526D+01
      6   0.348476D+01  0.689909D+00  0.283050D+01 -0.448604D+01  0.102750D+01
                76            77            78            79            80 
      1   0.101203D+02 -0.851300D+01  0.401870D+01  0.375484D+01  0.135833D+01
      2  -0.708350D+01  0.167713D+01 -0.192459D+01 -0.343762D+01 -0.286339D+01
      3  -0.303681D+01  0.683587D+01 -0.209411D+01 -0.317219D+00  0.150506D+01
      4  -0.367022D+00  0.580704D+01  0.632506D+01  0.382475D+01  0.181965D+01
      5   0.523475D+01  0.183045D+01  0.103796D+01  0.476810D+01  0.150061D+01
      6  -0.232542D+01  0.223308D+01  0.288520D+01  0.989649D+00  0.337453D+01
                81            82            83            84            85 
      1   0.840030D+01 -0.717611D+01 -0.332617D+01  0.991040D+01 -0.664022D+01
      2   0.704790D+01  0.100103D+02  0.334330D+01 -0.293130D+01  0.102944D+02
      3  -0.154482D+02 -0.283420D+01 -0.171341D-01 -0.697910D+01 -0.365414D+01
      4   0.419767D+01 -0.647834D+01  0.185254D+01  0.533634D+01  0.170216D+01
      5  -0.770653D+01  0.875637D+01 -0.129794D+01 -0.222606D+01 -0.155609D+01
      6  -0.368178D+00  0.524944D+01 -0.417811D+01  0.478305D+01 -0.322727D+01
                86            87            88            89            90 
      1  -0.180495D+02  0.856591D+01  0.649908D+01  0.415755D+01  0.290767D+01
      2   0.191728D+02 -0.161520D+02  0.475934D+00 -0.718441D+01  0.511171D+01
      3  -0.112330D+01  0.758608D+01 -0.697501D+01  0.302686D+01 -0.801938D+01
      4   0.512838D+01 -0.307473D+01  0.605544D+01 -0.240884D+01  0.294754D+01
      5  -0.692382D+01  0.181436D+01 -0.105061D+01  0.600864D+00 -0.195992D+01
      6  -0.122391D+02  0.454901D+01  0.399154D+01  0.224891D+01  0.666610D+01
                91            92            93            94            95 
      1  -0.218070D+01  0.232931D+01 -0.659017D+01  0.703560D+01  0.173173D+02
      2   0.279921D+00 -0.409794D+01  0.431837D+01 -0.126375D+02 -0.236245D+02
      3   0.190078D+01  0.176863D+01  0.227180D+01  0.560192D+01  0.630721D+01
      4  -0.792809D+01 -0.272769D+01 -0.116793D+02 -0.421372D+01 -0.115478D+02
      5  -0.575479D+01 -0.156451D+01 -0.321353D+01 -0.101141D+01  0.696861D+01
      6  -0.118555D+02  0.339644D+01 -0.909420D+01  0.399122D+01  0.293333D+02
                96            97            98            99           100 
      1  -0.155645D+02 -0.904430D+01 -0.198646D+02  0.265743D+01  0.699625D+02
      2   0.294231D+02  0.724710D+01  0.324136D+02 -0.682708D+01 -0.377872D+02
      3  -0.138586D+02  0.179720D+01 -0.125490D+02  0.416964D+01 -0.321753D+02
      4   0.526654D+01 -0.131354D+02  0.813673D+01 -0.117742D+02 -0.318947D+02
      5  -0.656256D+00 -0.448986D+01 -0.330634D+01 -0.384642D+00  0.317887D+02
      6  -0.973336D+01 -0.116371D+02 -0.123258D+02  0.184389D+01 -0.962659D+01
               101           102           103           104           105 
      1  -0.972171D+01  0.191713D+02  0.178885D+01  0.527975D+01  0.218524D+01
      2   0.257143D+01 -0.129165D+02 -0.438378D+01 -0.154024D+01 -0.332587D+01
      3   0.715028D+01 -0.625478D+01  0.259493D+01 -0.373952D+01  0.114063D+01
      4   0.138269D+02 -0.909528D+01  0.103205D+02 -0.525231D+01  0.415194D+01
      5  -0.509481D+01  0.186588D+02  0.518203D+00  0.508511D+01 -0.708723D+00
      6   0.343159D+01 -0.655771D+01  0.282733D+01 -0.311304D+01  0.363110D+01
               106           107           108           109           110 
      1   0.148254D+02 -0.718391D+00  0.107700D+02 -0.245889D+01 -0.910948D+01
      2  -0.119324D+02 -0.648255D+00 -0.897052D+01  0.252335D+01  0.850821D+01
      3  -0.289307D+01  0.136665D+01 -0.179946D+01 -0.644616D-01  0.601266D+00
      4  -0.834755D+01  0.455348D+01 -0.702135D+01 -0.211075D-01 -0.123718D+01
      5   0.207510D+02 -0.419259D+01  0.133924D+02  0.296827D+01 -0.545008D+00
      6  -0.715416D+01  0.446790D+01 -0.484508D+01 -0.485123D+01 -0.578243D+01
               111           112           113           114           115 
      1   0.873439D+01 -0.581696D+01 -0.187381D+02  0.963408D+01  0.594625D+01
      2  -0.466140D+01  0.361554D+01  0.239641D+02 -0.874463D+01 -0.276318D+01
      3  -0.407299D+01  0.220142D+01 -0.522603D+01 -0.889446D+00 -0.318306D+01
      4  -0.192468D+01  0.523826D+01 -0.145103D+02  0.692368D+01 -0.490327D+01
      5  -0.106538D+01 -0.247819D+01  0.709778D+01 -0.901742D+01  0.348065D+01
      6   0.540228D+01 -0.262594D+00 -0.177886D+02  0.144159D+02  0.256651D+00
               116           117           118           119           120 
      1   0.754640D+01 -0.956953D+01  0.148844D+02 -0.944148D+01 -0.524087D+01
      2  -0.587613D+01  0.436954D+01 -0.597345D+00 -0.316103D+01  0.132209D+01
      3  -0.167027D+01  0.519999D+01 -0.142871D+02  0.126025D+02  0.391878D+01
      4   0.706655D+01 -0.530191D+01 -0.244958D+02  0.234970D+02  0.784941D+01
      5  -0.646381D+01  0.810031D+01 -0.110202D+02  0.728878D+01  0.895179D+01
      6   0.127413D+02 -0.131394D+02  0.724780D+01 -0.586584D+01 -0.484068D+01
               121           122           123           124           125 
      1  -0.923809D+01  0.952279D-01 -0.139676D+01 -0.392088D+01 -0.155199D+01
      2  -0.834887D+01  0.238996D+02  0.649686D+01  0.121763D+01  0.368553D+01
      3   0.175870D+02 -0.239949D+02 -0.510010D+01  0.270326D+01 -0.213354D+01
      4   0.333512D+02 -0.453118D+02 -0.152877D+02  0.885811D+01 -0.120249D+02
      5   0.101867D+02 -0.152019D+02 -0.104138D+02  0.116504D+02 -0.107338D+02
      6  -0.103004D+02  0.177676D+02  0.116212D+02 -0.795773D+01  0.120577D+02
               126           127           128           129           130 
      1   0.872920D+00  0.223599D+02  0.718325D+01 -0.974615D+01  0.159915D+02
      2   0.136544D+01 -0.159155D+02 -0.672326D+01  0.825675D+01 -0.134821D+02
      3  -0.223836D+01 -0.644433D+01 -0.459985D+00  0.148940D+01 -0.250941D+01
      4  -0.114636D+02  0.155171D+01  0.719896D+01  0.756287D-01  0.640763D+01
      5  -0.904737D+01 -0.150814D+02 -0.365237D+01  0.127621D+02 -0.924621D+01
      6   0.853861D+01  0.118448D+01 -0.197048D+01 -0.212266D+01 -0.257400D+01
               131           132           133           134           135 
      1   0.838806D+01 -0.528938D+01 -0.985337D+01 -0.143322D+01  0.621650D+01
      2  -0.775362D+01  0.857215D+01  0.935714D+01  0.475607D+01 -0.106384D+02
      3  -0.634435D+00 -0.328277D+01  0.496231D+00 -0.332285D+01  0.442189D+01
      4   0.859243D+01 -0.695644D+01  0.190975D+01 -0.623037D+01  0.245486D+01
      5  -0.968565D+01  0.119617D+02  0.133546D+02  0.525686D+01 -0.149599D+02
      6  -0.173316D+01  0.218685D+00 -0.151743D+01  0.259156D+01  0.142187D+01
               136           137           138           139           140 
      1   0.180011D+02  0.108648D+02 -0.591263D+01  0.115336D+02  0.308761D+01
      2  -0.238251D+01  0.209555D+01  0.176999D+01  0.641205D+01  0.195623D+02
      3  -0.156186D+02 -0.129604D+02  0.414265D+01 -0.179457D+02 -0.226500D+02
      4   0.262162D+02  0.239934D+02 -0.821348D+01  0.340509D+02  0.436621D+02
      5  -0.121391D+02 -0.771156D+01  0.962808D+01 -0.108050D+02 -0.151742D+02
      6  -0.745593D+01 -0.596638D+01  0.493263D+01 -0.102762D+02 -0.164068D+02
               141           142           143           144           145 
      1   0.306456D+00 -0.466899D+01  0.695493D+00  0.187256D+01  0.212374D+02
      2  -0.523235D+01  0.186637D+01 -0.271377D+01  0.364244D+00 -0.149030D+02
      3   0.492590D+01  0.280262D+01  0.201827D+01 -0.223680D+01 -0.633442D+01
      4  -0.152428D+02 -0.914597D+01 -0.118406D+02  0.114571D+02 -0.254901D+01
      5   0.105163D+02  0.124812D+02  0.107334D+02 -0.943014D+01 -0.145643D+02
      6   0.109620D+02  0.795154D+01  0.112546D+02 -0.815370D+01 -0.742917D+00
               146           147           148           149           150 
      1  -0.713408D+01 -0.951125D+01 -0.160144D+02  0.861920D+01  0.508414D+01
      2   0.642260D+01  0.787032D+01  0.132360D+02 -0.783266D+01 -0.828957D+01
      3   0.711474D+00  0.164094D+01  0.277834D+01 -0.786542D+00  0.320543D+01
      4   0.750251D+01  0.378515D+00  0.739024D+01 -0.995063D+01 -0.756103D+01
      5   0.377872D+01  0.123079D+02  0.934787D+01 -0.101693D+02 -0.124792D+02
      6  -0.200741D+01  0.159624D+01 -0.285606D+01  0.237528D+01  0.672065D+00
               151           152           153           154           155 
      1  -0.993511D+01  0.131024D+01  0.597596D+01  0.727901D+02  0.802250D+01
      2   0.928689D+01 -0.460488D+01 -0.103693D+02 -0.402533D+02 -0.210207D+01
      3   0.648216D+00  0.329464D+01  0.439334D+01 -0.325368D+02 -0.592044D+01
      4  -0.135101D+01 -0.642321D+01 -0.317753D+01  0.281505D+02  0.122608D+02
      5   0.131608D+02 -0.571138D+01 -0.149642D+02  0.323538D+02  0.408620D+01
      6   0.105308D+01  0.277649D+01 -0.758044D+00  0.851617D+01  0.297330D+01
               156           157           158           159           160 
      1   0.198112D+02 -0.374995D+01  0.540775D+01 -0.266568D+01  0.155578D+02
      2  -0.135065D+02  0.511797D+01 -0.202959D+01  0.354102D+01 -0.125950D+02
      3  -0.630467D+01 -0.136802D+01 -0.337816D+01 -0.875333D+00 -0.296284D+01
      4   0.787872D+01  0.956122D+01  0.397382D+01  0.404811D+01  0.738203D+01
      5   0.189633D+02 -0.154801D+01  0.506285D+01  0.590287D-01  0.212363D+02
      6   0.590812D+01  0.261150D+01  0.264919D+01  0.335087D+01  0.644784D+01
               161           162           163           164           165 
      1   0.452187D+00  0.113515D+02 -0.182312D+01  0.831390D+01  0.848442D+01
      2   0.795423D+00 -0.955134D+01  0.202302D+01 -0.749865D+01 -0.445369D+01
      3  -0.124761D+01 -0.180014D+01 -0.199903D+00 -0.815256D+00 -0.403072D+01
      4   0.423426D+01  0.616040D+01  0.393007D+00 -0.130983D+01  0.167135D+01
      5   0.348313D+01  0.136150D+02  0.330493D+01  0.493024D+00 -0.881862D+00
      6   0.401520D+01  0.427669D+01  0.448205D+01 -0.524587D+01 -0.474091D+01
               166           167           168           169           170 
      1   0.560951D+01 -0.180522D+02 -0.937325D+01  0.605847D+01 -0.717275D+01
      2  -0.318474D+01  0.231632D+02  0.831694D+01 -0.294628D+01  0.537275D+01
      3  -0.242476D+01 -0.511095D+01  0.105631D+01 -0.311219D+01  0.180000D+01
      4   0.551954D+01  0.161545D+02  0.761789D+01  0.483670D+01  0.740652D+01
      5   0.266855D+01  0.772281D+01  0.966980D+01  0.376366D+01  0.684239D+01
      6   0.181133D+00  0.177060D+02  0.142219D+02  0.124495D+00  0.124475D+02
               171           172           173           174           175 
      1  -0.907214D+01  0.129736D+02 -0.601467D+01  0.560632D+00 -0.121768D+02
      2   0.389197D+01 -0.505189D+01  0.230828D+01 -0.976195D+00  0.679460D+01
      3   0.518018D+01 -0.792173D+01  0.370639D+01  0.415564D+00  0.538223D+01
      4   0.587429D+01 -0.107074D+02  0.113523D+02 -0.242112D+01  0.911875D+01
      5   0.863637D+01  0.377803D+01 -0.288641D+01  0.354758D+01 -0.860587D+01
      6   0.127541D+02 -0.297591D+01  0.369409D+01 -0.135606D+01  0.437375D+01
               176           177           178           179           180 
      1   0.412207D+01 -0.250921D+01 -0.611728D+01  0.102456D+01 -0.114597D+01
      2   0.895650D+00  0.405605D+01  0.302476D+01  0.776956D+00 -0.761863D+00
      3  -0.501772D+01 -0.154684D+01  0.309251D+01 -0.180152D+01  0.190783D+01
      4  -0.175237D+02  0.207183D+01 -0.190000D+01 -0.233510D+01 -0.362929D+01
      5   0.302045D+01 -0.602034D+01  0.293111D+00 -0.289013D+01  0.751598D+00
      6  -0.655790D+01  0.223109D+01 -0.115074D+01  0.100514D+01 -0.164548D+01
               181           182           183           184           185 
      1  -0.304567D+01 -0.207475D+00  0.335537D+01  0.243540D+00 -0.111271D+01
      2   0.889407D+00 -0.482981D+00  0.159898D+01 -0.184454D+00 -0.187650D+01
      3   0.215627D+01  0.690456D+00 -0.495435D+01 -0.590862D-01  0.298922D+01
      4  -0.281064D+01  0.589056D+00 -0.443266D+00  0.326670D+01 -0.277272D+00
      5  -0.954985D+00 -0.378534D+00  0.926695D+00 -0.406525D+00  0.285334D+01
      6   0.301100D+00  0.568628D+00 -0.167100D-01  0.169041D+01 -0.351363D+00
               186           187           188           189           190 
      1  -0.557429D-01  0.284181D+01  0.189354D+01 -0.166510D+02 -0.406011D+01
      2   0.721706D+00 -0.669996D+01  0.169850D+01 -0.190606D+02  0.546983D+01
      3  -0.665963D+00  0.385815D+01 -0.359204D+01  0.357117D+02 -0.140972D+01
      4   0.325306D+01  0.148711D+01  0.464060D+01 -0.333977D+01 -0.478878D+01
      5  -0.547447D+00  0.909279D+01 -0.228543D+01  0.232405D+02  0.294888D+01
      6   0.541371D+01  0.305090D+00  0.370883D+01  0.829035D+00  0.293956D+00
               191           192           193           194           195 
      1   0.660108D+01 -0.189284D+01  0.679145D+01 -0.202973D+02  0.476109D+01
      2  -0.845507D+01  0.115987D+01 -0.633446D+01  0.312800D+02 -0.385683D+01
      3   0.185399D+01  0.732972D+00 -0.456998D+00 -0.109827D+02 -0.904263D+00
      4   0.572591D+00  0.170394D+01  0.648169D+01  0.241853D+01 -0.770279D+00
      5  -0.407307D+00 -0.680963D+00 -0.299528D+01  0.162889D+01  0.124562D+01
      6   0.640077D+01 -0.320488D+01  0.114863D+01 -0.120202D+02  0.686206D+01
               196           197           198           199           200 
      1   0.165086D+01  0.611807D+00 -0.430729D+01 -0.500396D+00  0.143398D+01
      2  -0.130017D+01  0.299889D+01  0.220923D+01 -0.237919D+01 -0.101341D+01
      3  -0.350686D+00 -0.361070D+01  0.209806D+01  0.287959D+01 -0.420563D+00
      4   0.321111D+01  0.356017D+01 -0.160194D+01  0.420173D+00 -0.371780D+00
      5  -0.750975D+00 -0.174454D+00  0.568808D+00 -0.184263D+01 -0.143919D+00
      6  -0.202283D+01  0.268877D+01 -0.183299D+01 -0.607244D+00  0.196284D+01
               201           202           203           204           205 
      1  -0.324913D+01 -0.119615D+01 -0.390040D+01  0.270283D+00 -0.327365D+01
      2   0.932921D+00  0.115560D+01  0.173435D+01 -0.434625D+01  0.303238D+01
      3   0.231621D+01  0.405480D-01  0.216605D+01  0.407597D+01  0.241266D+00
      4  -0.104223D+01 -0.173872D+01 -0.305859D+01 -0.183838D-01 -0.427913D+01
      5   0.403501D+01  0.835603D+00  0.319227D+00 -0.208234D+01  0.447904D+01
      6  -0.163096D+01  0.167395D+01 -0.738715D+00  0.235310D+01  0.113319D+01
               206           207           208           209           210 
      1   0.499321D+01 -0.203642D+02 -0.422261D+01 -0.721481D+01 -0.222460D+01
      2  -0.376546D+00 -0.142866D+02  0.570859D+01  0.949765D+01  0.146062D+01
      3  -0.461666D+01  0.346508D+02 -0.148598D+01 -0.228284D+01  0.763977D+00
      4  -0.325325D+01 -0.186224D+00  0.553105D+01  0.982552D+00 -0.158497D+01
      5   0.339310D+01 -0.143824D+02  0.308623D+01  0.645277D+00 -0.582269D+00
      6   0.802918D+01 -0.185250D+02 -0.851652D-01  0.687743D+01  0.352077D+01
               211           212           213           214           215 
      1  -0.690517D+01 -0.198096D+02 -0.468874D+01  0.136036D+01 -0.330656D+00
      2   0.687246D+01  0.307381D+02  0.381298D+01 -0.116571D+01 -0.330408D+01
      3   0.327086D-01 -0.109285D+02  0.875761D+00 -0.194647D+00  0.363473D+01
      4   0.677851D+01 -0.498044D+00 -0.320283D+00 -0.318850D+01  0.358448D+01
      5   0.299496D+01  0.199905D+01 -0.920147D+00 -0.659160D+00  0.314915D+00
      6   0.153571D+01  0.115245D+02  0.673337D+01  0.216644D+01  0.257109D+01
               216           217           218           219           220 
      1  -0.414536D+01 -0.572273D+00 -0.160215D+01 -0.316706D+01  0.901300D+00
      2   0.205999D+01 -0.232421D+01  0.121151D+01  0.101940D+01 -0.825029D+00
      3   0.208537D+01  0.289649D+01  0.390635D+00  0.214767D+01 -0.762709D-01
      4   0.188084D+01 -0.583217D+00 -0.937079D-01  0.123410D+01 -0.165773D+01
      5   0.649757D+00 -0.182657D+01  0.329621D+00  0.418490D+01 -0.655209D+00
      6   0.178176D+01  0.856311D+00  0.195471D+01  0.156192D+01  0.169981D+01
               221           222           223           224           225 
      1  -0.360911D+01 -0.149053D+00 -0.312480D+01 -0.516723D+01 -0.203468D+02
      2   0.145971D+01  0.428081D+01  0.266423D+01  0.530163D+00 -0.142704D+02
      3   0.214940D+01 -0.413176D+01  0.460571D+00  0.463706D+01  0.346171D+02
      4   0.336844D+01  0.132406D+00  0.440956D+01 -0.320502D+01  0.436442D+00
      5   0.367463D+00  0.197758D+01  0.427636D+01 -0.324190D+01 -0.135275D+02
      6   0.583301D+00  0.221706D+01 -0.963999D+00  0.825192D+01  0.191803D+02
               226           227           228           229           230 
      1   0.146486D+02  0.656503D+01  0.873052D+00  0.125149D+02  0.473564D+01
      2  -0.636109D+01 -0.301049D+01 -0.134631D+01 -0.729021D+01 -0.100449D+00
      3  -0.828753D+01 -0.355454D+01  0.473253D+00 -0.522466D+01 -0.463519D+01
      4   0.107154D+02  0.112173D+02  0.241721D+01  0.852368D+01  0.164936D+02
      5   0.438935D+01  0.298796D+01  0.384900D+01  0.873100D+01  0.277319D+01
      6   0.313015D+01  0.370243D+01  0.128544D+01  0.413837D+01  0.607940D+01
               231           232           233           234           235 
      1   0.264063D+01 -0.598126D+01 -0.962984D+00 -0.837223D+00 -0.277766D+01
      2  -0.417702D+01  0.282034D+01 -0.703505D+00 -0.106857D+01  0.649271D+00
      3   0.153640D+01  0.316092D+01  0.166649D+01  0.190579D+01  0.212839D+01
      4   0.167312D+01  0.219423D+01 -0.241375D+01  0.363076D+01  0.312236D+01
      5   0.595270D+01  0.462995D+00  0.291283D+01  0.816831D+00 -0.922998D+00
      6   0.191896D+01  0.116875D+01  0.834517D+00  0.161570D+01 -0.166394D+00
               236           237           238           239           240 
      1   0.324362D+00  0.340671D+01  0.108582D+00 -0.110555D+01  0.184999D+00
      2   0.328654D+00  0.152200D+01 -0.203797D+00 -0.190783D+01 -0.106696D+01
      3  -0.653016D+00 -0.492871D+01  0.952158D-01  0.301338D+01  0.881960D+00
      4   0.477212D+00  0.501741D+00  0.314786D+01  0.798921D-01  0.318801D+01
      5   0.564559D+00  0.957033D+00  0.638100D+00  0.281667D+01  0.735455D+00
      6   0.569581D+00  0.209399D+00  0.168757D+01  0.131524D+00  0.537783D+01
               241           242           243           244           245 
      1   0.262435D+01 -0.160639D+01 -0.163628D+02 -0.187545D+01 -0.165905D+01
      2  -0.663280D+01 -0.181366D+01 -0.193356D+02  0.289310D+00  0.321853D+01
      3   0.400845D+01  0.342005D+01  0.356984D+02  0.158614D+01 -0.155948D+01
      4  -0.169281D+01  0.470862D+01  0.321485D+01  0.776264D+01 -0.234066D+01
      5   0.916097D+01  0.204625D+01  0.231540D+02 -0.507724D+01  0.219604D+01
      6  -0.540543D+00  0.363246D+01 -0.182594D+01  0.123435D+02  0.145307D+01
               246           247           248           249           250 
      1  -0.481889D+01 -0.648106D+01  0.186582D+02  0.161693D+02 -0.693020D+01
      2   0.193552D+01  0.118727D+02 -0.252989D+02 -0.299153D+02  0.458143D+01
      3   0.288336D+01 -0.539168D+01  0.664072D+01  0.137460D+02  0.234876D+01
      4   0.122538D+02 -0.324963D+01  0.994845D+01  0.271854D+01  0.140508D+02
      5  -0.279094D+01  0.166246D+01  0.550716D+01  0.343720D+00 -0.383959D+01
      6   0.877992D+01  0.208435D+01 -0.298492D+02 -0.101347D+02  0.112522D+02
               251           252           253           254           255 
      1   0.208183D+02  0.367375D+01 -0.611737D+01  0.292893D+01  0.901455D+01
      2  -0.332875D+02 -0.783865D+01  0.880150D+01 -0.301642D+01 -0.170294D+01
      3   0.124692D+02  0.416491D+01 -0.268413D+01  0.874902D-01 -0.731161D+01
      4   0.517623D+01  0.112992D+02  0.730230D+01  0.106704D+01 -0.598219D+01
      5   0.292585D+01 -0.462771D+00  0.860284D+01  0.430662D+00 -0.252845D+01
      6  -0.129491D+02 -0.182168D+01 -0.594979D+01 -0.340132D+01 -0.445716D+01
               256           257           258           259           260 
      1   0.621551D+01 -0.188534D+02 -0.919549D+01  0.575791D+01 -0.461591D+01
      2  -0.992989D+01  0.201407D+02  0.164583D+02  0.134914D+01  0.733134D+01
      3   0.371438D+01 -0.128729D+01 -0.726283D+01 -0.710705D+01 -0.271543D+01
      4   0.475384D+00 -0.354894D+01 -0.171523D+01 -0.639298D+01 -0.161271D+01
      5   0.735344D+00 -0.645567D+01 -0.149645D+01 -0.126675D+01 -0.447238D+00
      6  -0.247632D+01  0.128148D+02  0.481791D+01 -0.383715D+01  0.243524D+01
               261           262           263           264           265 
      1   0.264460D+01  0.171040D+02 -0.289209D+01 -0.536812D+01 -0.513787D+00
      2   0.536464D+01 -0.150226D+02  0.611256D+01  0.786137D+01  0.232210D+01
      3  -0.800924D+01 -0.208140D+01 -0.322047D+01 -0.249325D+01 -0.180831D+01
      4  -0.283883D+01  0.153596D+02  0.683623D+01 -0.753042D+01  0.130301D+01
      5  -0.225840D+01 -0.174971D+02 -0.320986D+01  0.111960D+02  0.220388D+01
      6  -0.657746D+01 -0.722901D+01 -0.392297D+01  0.672164D+01 -0.296147D+00
               266           267           268           269           270 
      1   0.393725D+01 -0.529524D+00 -0.315039D+01 -0.491529D+00  0.122661D+01
      2  -0.261095D+01 -0.537833D+00  0.640912D+01  0.157335D+01 -0.719056D+01
      3  -0.132630D+01  0.106736D+01 -0.325873D+01 -0.108182D+01  0.596395D+01
      4   0.299047D+00  0.229671D+00 -0.291796D+01 -0.373016D+00  0.320673D+01
      5  -0.211806D+00 -0.127734D+01  0.794179D+01  0.259214D+00 -0.723679D+01
      6   0.128118D+01 -0.450407D-01  0.331653D+01  0.146297D+01 -0.507766D+01
               271           272           273           274           275 
      1   0.623993D-01  0.660175D+01 -0.746910D+01  0.177066D+01 -0.188998D+01
      2  -0.444518D+01 -0.659522D+01 -0.198271D+01 -0.180410D+01 -0.490320D+00
      3   0.438278D+01 -0.652897D-02  0.945181D+01  0.334415D-01  0.238030D+01
      4  -0.358625D+01 -0.670052D+00 -0.332387D+01  0.119359D+00 -0.189442D+01
      5   0.189066D+01  0.259709D+00  0.347797D+01 -0.407970D-01  0.202357D+01
      6  -0.227701D+01  0.567238D+01 -0.878996D+01  0.225235D+01 -0.262946D+01
               276           277           278           279           280 
      1   0.167376D+01 -0.222367D+01  0.677293D+01 -0.154057D+02  0.121809D+02
      2  -0.733115D+00 -0.105196D+01 -0.274612D+01 -0.123993D+02 -0.265349D+01
      3  -0.940642D+00  0.327564D+01 -0.402681D+01  0.278050D+02 -0.952739D+01
      4   0.124769D+01 -0.353537D+01 -0.106371D+01 -0.295900D+01  0.252473D+02
      5  -0.903778D+00  0.408696D+01  0.452787D+00 -0.151924D+01  0.735857D+01
      6   0.526377D+01 -0.128860D+01  0.816079D+01 -0.204653D+02  0.932496D+01
               281           282           283           284           285 
      1  -0.270632D+01  0.438345D+01 -0.333512D+01 -0.169127D+01 -0.693953D+00
      2   0.107085D+02 -0.142750D+01  0.728855D+01  0.578307D+01  0.773884D+00
      3  -0.800218D+01 -0.295595D+01 -0.395343D+01 -0.409179D+01 -0.799313D-01
      4   0.122677D+02  0.918917D+01  0.624629D+01  0.856863D+01  0.184514D+01
      5   0.157774D+01  0.637222D+01  0.649310D+00  0.169146D+01  0.800385D+00
      6   0.292021D+01  0.873816D+01  0.119589D+01  0.147463D+01  0.354093D+01
               286           287           288           289           290 
      1   0.505300D+01 -0.129366D+01  0.489866D+00 -0.310526D+01 -0.870803D+00
      2  -0.211197D+01  0.491732D+01  0.407424D+00  0.809588D+01  0.572317D+01
      3  -0.294103D+01 -0.362365D+01 -0.897290D+00 -0.499063D+01 -0.485237D+01
      4   0.157090D+02  0.653724D+01  0.101413D+02  0.807594D+01  0.152739D+02
      5   0.774777D+01  0.312609D+01  0.755066D+01 -0.144975D+01 -0.334938D+01
      6   0.105332D+02  0.795403D+01  0.132032D+02 -0.449514D+01 -0.425294D+01
               291           292           293           294           295 
      1   0.988328D+00 -0.470134D+01 -0.365824D+02  0.131199D+02  0.410913D+01
      2  -0.229134D+01  0.112692D+02  0.648516D+02 -0.205154D+02 -0.626622D+01
      3   0.130301D+01 -0.656788D+01 -0.282691D+02  0.739543D+01  0.215709D+01
      4  -0.484704D+01  0.126395D+02  0.196306D+02 -0.744933D+01 -0.594596D+01
      5   0.372078D+01 -0.197809D+01 -0.471814D+01  0.314101D+01  0.410113D+01
      6   0.361559D+01 -0.615962D+01 -0.294847D+02  0.183525D+02  0.744938D+01
               296           297           298           299           300 
      1   0.200901D+02 -0.129677D+02 -0.351415D+01  0.670673D+00  0.799614D+00
      2  -0.292631D+02  0.154140D+02  0.804652D+01 -0.446854D+01 -0.177225D+01
      3   0.917307D+01 -0.244628D+01 -0.453237D+01  0.379787D+01  0.972632D+00
      4  -0.108001D+02  0.810719D+01 -0.637569D+01  0.145372D+02  0.441165D+01
      5   0.510717D+01 -0.438216D+01 -0.103620D+01  0.304771D+01  0.344718D+01
      6   0.263400D+02 -0.210356D+02  0.412978D+01 -0.325729D+01 -0.294948D+01
               301           302           303           304           305 
      1   0.425470D+01 -0.384134D+02 -0.137541D+02  0.367985D+01 -0.211303D+02
      2  -0.977147D+01  0.671563D+02  0.212003D+02 -0.542917D+01  0.303961D+02
      3   0.551677D+01 -0.287429D+02 -0.744621D+01  0.174932D+01 -0.926579D+01
      4   0.114984D+02 -0.162401D+02 -0.612977D+01  0.507582D+01 -0.880536D+01
      5   0.159667D+01 -0.361345D+01 -0.247738D+01  0.358713D+01 -0.409496D+01
      6  -0.510621D+01  0.300699D+02  0.186121D+02 -0.643661D+01  0.268404D+02
               306           307           308           309           310 
      1  -0.136216D+02  0.102311D+02  0.318414D+01  0.358446D+01  0.330258D+01
      2   0.160736D+02 -0.123953D+01 -0.113983D+02 -0.632279D+00 -0.747083D+01
      3  -0.245195D+01 -0.899158D+01  0.821417D+01 -0.295218D+01  0.416825D+01
      4  -0.681685D+01 -0.250206D+02  0.123689D+02 -0.933023D+01  0.649033D+01
      5  -0.344178D+01  0.683940D+01 -0.168868D+01  0.594317D+01 -0.834156D+00
      6   0.211933D+02 -0.944250D+01  0.335245D+01 -0.884453D+01  0.157361D+01
               311           312           313           314           315 
      1  -0.276942D+01  0.686577D+00  0.372144D+01  0.167692D+01 -0.414912D+00
      2   0.740595D+01 -0.894581D+00 -0.945116D+00 -0.541534D+01  0.130740D+01
      3  -0.463653D+01  0.208004D+00 -0.277632D+01  0.373842D+01 -0.892492D+00
      4  -0.901114D+01  0.218352D+01 -0.156776D+02  0.693364D+01 -0.101065D+02
      5   0.171739D+01 -0.908588D+00  0.714236D+01 -0.309702D+01  0.695643D+01
      6  -0.173889D+01  0.396587D+01 -0.104958D+02  0.856356D+01 -0.135201D+02
               316           317           318           319           320 
      1   0.158158D+02  0.293726D+01 -0.464504D+01  0.841223D-01  0.372530D+01
      2  -0.139704D+02 -0.618591D+01  0.718815D+01 -0.191898D+01 -0.217612D+01
      3  -0.184539D+01  0.324865D+01 -0.254311D+01  0.183486D+01 -0.154918D+01
      4  -0.163797D+02  0.711241D+01  0.810611D+01  0.186618D+01 -0.967999D+00
      5  -0.170930D+02  0.379409D+01  0.109423D+02 -0.145842D+01 -0.335848D+00
      6   0.781109D+01 -0.446272D+01 -0.721910D+01 -0.598781D+00 -0.105321D+01
               321           322           323           324           325 
      1   0.757946D+00 -0.284802D+01  0.579698D+00  0.924187D+00 -0.102115D-01
      2   0.197363D+00  0.606106D+01 -0.180430D+01 -0.689330D+01 -0.437338D+01
      3  -0.955308D+00 -0.321303D+01  0.122460D+01  0.596911D+01  0.438359D+01
      4  -0.128469D+00  0.332039D+01 -0.609209D+00 -0.357627D+01  0.338761D+01
      5   0.786459D+00  0.778121D+01 -0.545587D+00 -0.701507D+01  0.199943D+01
      6   0.221090D+00 -0.360722D+01  0.164095D+01  0.540657D+01  0.254771D+01
               326           327           328           329           330 
      1  -0.671387D+01 -0.722815D+01 -0.182769D+01 -0.134060D+01 -0.123726D+01
      2   0.679734D+01 -0.226122D+01  0.195167D+01 -0.104190D+01  0.719822D+00
      3  -0.834616D-01  0.948937D+01 -0.123974D+00  0.238250D+01  0.517433D+00
      4  -0.145721D+00  0.361485D+01  0.212185D+00  0.194395D+01  0.119303D+01
      5   0.481989D-03  0.391413D+01  0.147923D+00  0.213433D+01  0.961345D+00
      6   0.567799D+01  0.885663D+01  0.225079D+01  0.218589D+01  0.482897D+01
               331           332           333 
      1  -0.221530D+01 -0.674326D+01 -0.151244D+02
      2  -0.124513D+01  0.286787D+01 -0.126570D+02
      3   0.346043D+01  0.387540D+01  0.277814D+02
      4   0.354641D+01 -0.791922D+00  0.308729D+01
      5   0.413167D+01 -0.265918D+00 -0.594087D+00
      6   0.147843D+01  0.810863D+01  0.205032D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Jul 19 02:08:25 2021, MaxMem=  5637144576 cpu:          241674.7 elap:           30327.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -14.59711 -14.59709 -14.59685 -14.59682 -14.59680
 Alpha  occ. eigenvalues --  -14.59676 -10.45403 -10.45395 -10.45328 -10.45323
 Alpha  occ. eigenvalues --  -10.45299 -10.45295  -3.65017  -2.46148  -2.46141
 Alpha  occ. eigenvalues --   -2.45682  -1.42917  -1.41760  -1.41724  -1.39225
 Alpha  occ. eigenvalues --   -1.39192  -1.39170  -1.22051  -1.21843  -1.21834
 Alpha  occ. eigenvalues --   -1.10783  -1.10575  -1.09867  -1.03801  -1.03477
 Alpha  occ. eigenvalues --   -1.03298  -1.02187  -1.01630  -1.01047  -1.00826
 Alpha  occ. eigenvalues --   -1.00764  -1.00126  -0.94594  -0.94544  -0.94244
 Alpha  occ. eigenvalues --   -0.93023  -0.92766  -0.92733  -0.90418  -0.89895
 Alpha  occ. eigenvalues --   -0.89858  -0.86081  -0.86077  -0.84963  -0.84273
 Alpha  occ. eigenvalues --   -0.83709  -0.83282  -0.81737  -0.80679  -0.80657
 Alpha  occ. eigenvalues --   -0.77316  -0.77291  -0.77010
 Alpha virt. eigenvalues --   -0.41370  -0.41362  -0.34675  -0.32610  -0.31804
 Alpha virt. eigenvalues --   -0.31631  -0.28657  -0.28585  -0.28262  -0.26938
 Alpha virt. eigenvalues --   -0.26295  -0.25787  -0.25319  -0.24399  -0.24034
 Alpha virt. eigenvalues --   -0.23516  -0.23237  -0.23058  -0.22356  -0.22299
 Alpha virt. eigenvalues --   -0.21925  -0.20628  -0.20287  -0.19962  -0.19915
 Alpha virt. eigenvalues --   -0.19665  -0.19603  -0.18958  -0.18813  -0.18468
 Alpha virt. eigenvalues --   -0.17965  -0.17838  -0.17323  -0.17065  -0.16885
 Alpha virt. eigenvalues --   -0.16582  -0.16533  -0.16132  -0.15913  -0.15903
 Alpha virt. eigenvalues --   -0.15432  -0.15378  -0.14843  -0.14606  -0.14359
 Alpha virt. eigenvalues --   -0.14337  -0.14078  -0.13997  -0.13913  -0.13322
 Alpha virt. eigenvalues --   -0.13008  -0.12819  -0.12435  -0.12416  -0.12242
 Alpha virt. eigenvalues --   -0.12151  -0.12037  -0.11567  -0.11441  -0.11227
 Alpha virt. eigenvalues --   -0.10906  -0.10464  -0.10223  -0.10158  -0.09990
 Alpha virt. eigenvalues --   -0.09786  -0.09587  -0.09115  -0.08751  -0.08729
 Alpha virt. eigenvalues --   -0.08540  -0.08380  -0.08313  -0.07926  -0.07709
 Alpha virt. eigenvalues --   -0.07114  -0.07031  -0.06774  -0.06581  -0.06151
 Alpha virt. eigenvalues --   -0.06121  -0.05554  -0.05407  -0.05009  -0.04650
 Alpha virt. eigenvalues --   -0.04495  -0.04244  -0.04111  -0.03525  -0.03423
 Alpha virt. eigenvalues --   -0.02131  -0.02099  -0.01842  -0.01583  -0.01428
 Alpha virt. eigenvalues --   -0.01285  -0.00316  -0.00086   0.00083   0.00341
 Alpha virt. eigenvalues --    0.00424   0.00989   0.01079   0.01693   0.01730
 Alpha virt. eigenvalues --    0.02727   0.03421   0.03921   0.04152   0.04217
 Alpha virt. eigenvalues --    0.05053   0.05679   0.06055   0.06297   0.06576
 Alpha virt. eigenvalues --    0.07062   0.07352   0.07575   0.08020   0.08281
 Alpha virt. eigenvalues --    0.08626   0.08819   0.09219   0.09240   0.09456
 Alpha virt. eigenvalues --    0.09683   0.10628   0.10781   0.10884   0.11022
 Alpha virt. eigenvalues --    0.11405   0.11571   0.11948   0.13289   0.14223
 Alpha virt. eigenvalues --    0.14350   0.14408   0.14994   0.15376   0.15564
 Alpha virt. eigenvalues --    0.16053   0.16124   0.16407   0.17298   0.17465
 Alpha virt. eigenvalues --    0.17586   0.18092   0.18791   0.18904   0.19280
 Alpha virt. eigenvalues --    0.19291   0.20438   0.20589   0.20835   0.21436
 Alpha virt. eigenvalues --    0.21509   0.21798   0.22134   0.22900   0.22958
 Alpha virt. eigenvalues --    0.22973   0.24432   0.24435   0.25052   0.26043
 Alpha virt. eigenvalues --    0.26120   0.26313   0.26914   0.28239   0.28665
 Alpha virt. eigenvalues --    0.29251   0.29395   0.29852   0.30608   0.30784
 Alpha virt. eigenvalues --    0.31129   0.31402   0.31616   0.32178   0.32903
 Alpha virt. eigenvalues --    0.33032   0.33440   0.33563   0.34041   0.34752
 Alpha virt. eigenvalues --    0.34763   0.34907   0.35047   0.35293   0.36210
 Alpha virt. eigenvalues --    0.36683   0.36998   0.37259   0.37597   0.38043
 Alpha virt. eigenvalues --    0.38428   0.38475   0.38918   0.39578   0.40073
 Alpha virt. eigenvalues --    0.40873   0.41097   0.42164   0.42444   0.42669
 Alpha virt. eigenvalues --    0.42768   0.43092   0.43726   0.44006   0.44501
 Alpha virt. eigenvalues --    0.44631   0.45597   0.45668   0.46083   0.46147
 Alpha virt. eigenvalues --    0.46741   0.47676   0.49314   0.49905   0.50229
 Alpha virt. eigenvalues --    0.50830   0.50874   0.51349   0.52368   0.52431
 Alpha virt. eigenvalues --    0.53109   0.54081   0.54296   0.54695   0.55236
 Alpha virt. eigenvalues --    0.55476   0.56066   0.56173   0.56465   0.57380
 Alpha virt. eigenvalues --    0.57831   0.58561   0.58651   0.59380   0.60159
 Alpha virt. eigenvalues --    0.61013   0.61664   0.61894   0.62087   0.63156
 Alpha virt. eigenvalues --    0.64080   0.64578   0.64895   0.65193   0.65794
 Alpha virt. eigenvalues --    0.66845   0.68185   0.68977   0.70244   0.70868
 Alpha virt. eigenvalues --    0.71585   0.71895   0.72355   0.73361   0.73829
 Alpha virt. eigenvalues --    0.74473   0.74735   0.75811   0.75939   0.77083
 Alpha virt. eigenvalues --    0.77586   0.79067   0.79735   0.81063   0.81730
 Alpha virt. eigenvalues --    0.83501   0.84151   0.84667   0.85228   0.87004
 Alpha virt. eigenvalues --    0.88881   0.89223   0.89643   0.90173   0.90460
 Alpha virt. eigenvalues --    0.92181   0.93039   0.94906   0.94954   0.97541
 Alpha virt. eigenvalues --    0.98215   0.98518   1.00094   1.00605   1.02492
 Alpha virt. eigenvalues --    1.04571   1.04798   1.05471   1.09184   1.09981
 Alpha virt. eigenvalues --    1.12841   1.13191   1.14473   1.14750   1.15740
 Alpha virt. eigenvalues --    1.16453   1.16804   1.18343   1.20949   1.22523
 Alpha virt. eigenvalues --    1.24047   1.25531   1.25657   1.25726   1.26717
 Alpha virt. eigenvalues --    1.27511   1.29996   1.30162   1.31331   1.31547
 Alpha virt. eigenvalues --    1.31942   1.33195   1.33410   1.34288   1.35394
 Alpha virt. eigenvalues --    1.37911   1.39130   1.39740   1.41363   1.41856
 Alpha virt. eigenvalues --    1.41916   1.42961   1.43034   1.44004   1.44094
 Alpha virt. eigenvalues --    1.45305   1.45350   1.45592   1.45646   1.47508
 Alpha virt. eigenvalues --    1.47520   1.49502   1.49562   1.51449   1.52079
 Alpha virt. eigenvalues --    1.52852   1.54330   1.55508   1.56243   1.56333
 Alpha virt. eigenvalues --    1.57250   1.58015   1.58336   1.59483   1.60036
 Alpha virt. eigenvalues --    1.60286   1.60969   1.62012   1.62391   1.63547
 Alpha virt. eigenvalues --    1.64276   1.64302   1.64977   1.66581   1.66635
 Alpha virt. eigenvalues --    1.67549   1.69170   1.69406   1.70250   1.71839
 Alpha virt. eigenvalues --    1.72337   1.72721   1.73532   1.74235   1.75511
 Alpha virt. eigenvalues --    1.75698   1.76958   1.77457   1.79265   1.80190
 Alpha virt. eigenvalues --    1.81204   1.81397   1.82376   1.82954   1.83786
 Alpha virt. eigenvalues --    1.85761   1.86329   1.87981   1.88882   1.88901
 Alpha virt. eigenvalues --    1.89475   1.90047   1.90773   1.91808   1.93090
 Alpha virt. eigenvalues --    1.93727   1.93941   1.94451   1.96292   1.98651
 Alpha virt. eigenvalues --    1.99492   2.00082   2.01789   2.02748   2.02981
 Alpha virt. eigenvalues --    2.04621   2.05961   2.07577   2.07964   2.08291
 Alpha virt. eigenvalues --    2.09400   2.11422   2.11898   2.12145   2.13376
 Alpha virt. eigenvalues --    2.14319   2.15920   2.16691   2.17816   2.18905
 Alpha virt. eigenvalues --    2.19105   2.20353   2.20384   2.20729   2.21604
 Alpha virt. eigenvalues --    2.23211   2.23944   2.24365   2.24817   2.25180
 Alpha virt. eigenvalues --    2.25643   2.26398   2.27260   2.28004   2.28386
 Alpha virt. eigenvalues --    2.29948   2.30782   2.32164   2.32735   2.33586
 Alpha virt. eigenvalues --    2.34095   2.34623   2.35279   2.35504   2.36108
 Alpha virt. eigenvalues --    2.36754   2.37372   2.38415   2.39133   2.39266
 Alpha virt. eigenvalues --    2.41294   2.42336   2.43651   2.45793   2.47307
 Alpha virt. eigenvalues --    2.50445   2.52264   2.52990   2.55151   2.58613
 Alpha virt. eigenvalues --    2.58624   2.60337   2.60512   2.64852   2.67812
 Alpha virt. eigenvalues --    2.69695   2.72173   2.73595   2.73632   2.75508
 Alpha virt. eigenvalues --    2.77824   2.78074   2.85801   2.86702   2.88252
 Alpha virt. eigenvalues --    2.88507   2.91601   2.95466   3.00937   3.01400
 Alpha virt. eigenvalues --    3.02095   3.03696   3.04470   3.04664   3.10940
 Alpha virt. eigenvalues --    3.13270   3.18878   3.30804   3.40895   3.83726
 Alpha virt. eigenvalues --    5.72006   5.97855  45.33506
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.344829   0.298369   0.373640  -1.633975  -0.035121  -0.040969
     2  C    0.298369   5.419790   1.066844  -1.796634   0.180805   0.006280
     3  N    0.373640   1.066844  10.161559  -6.415362   0.633466   0.180102
     4  Rh  -1.633975  -1.796634  -6.415362  64.069146  -6.441118  -1.804983
     5  N   -0.035121   0.180805   0.633466  -6.441118  10.172589   1.069149
     6  C   -0.040969   0.006280   0.180102  -1.804983   1.069149   5.422140
     7  C   -0.069146  -0.040773  -0.033993  -1.644115   0.375933   0.298724
     8  N   -0.025762   0.003711   0.202983  -7.017723   0.389195   0.215210
     9  N    1.154625   0.213418   0.385727  -6.997315   0.207014   0.004169
    10  N   -0.033568  -0.029856   0.366562  -6.685909   0.197749   0.215977
    11  C    0.019220  -0.043601   0.077482  -1.377653  -0.071408  -0.001571
    12  H   -0.005918   0.003177  -0.008893   0.420690   0.029410  -0.082439
    13  H    0.011900  -0.002529   0.053057   0.251585   0.031852  -0.089396
    14  H    0.000302   0.002020   0.007124   0.596545  -0.718987   0.082061
    15  H    0.003736  -0.011335  -0.028605   0.308891  -0.136522  -0.432157
    16  H   -0.130939   0.082316  -0.717816   0.594368   0.007015   0.002035
    17  H   -0.065651  -0.431100  -0.136908   0.308867  -0.028496  -0.011347
    18  H    0.106734  -0.082249   0.029699   0.419666  -0.008991   0.003218
    19  H   -0.408152  -0.088749   0.032183   0.249239   0.053495  -0.002579
    20  H   -0.165806   0.030226  -0.041903  -0.226076   0.065613   0.008261
    21  H    0.017486  -0.010460   0.012415   0.108069  -0.078197  -0.013964
    22  H    0.044730  -0.128770   0.396540  -0.137173   0.000399   0.000947
    23  H   -0.033039  -0.004146   0.065426   0.104750   0.023874   0.011637
    24  H    0.009527   0.000960   0.000342  -0.137002   0.395708  -0.128803
    25  H    0.024399   0.011701   0.023797   0.105434   0.064734  -0.004258
    26  H    0.007985   0.008220   0.065352  -0.226447  -0.041932   0.030272
    27  H   -0.004263  -0.013930  -0.077936   0.107562   0.012362  -0.010115
    28  C   -0.001549  -0.002260  -0.071822  -1.380148   0.077610  -0.043526
    29  N    0.166997   0.213998   0.196609  -6.684519   0.368842  -0.029047
    30  H   -0.003807   0.005948   0.002082  -0.039311  -0.045924   0.013566
    31  H   -0.005999  -0.006836   0.003973  -0.093094   0.007205   0.021195
    32  H   -0.011138  -0.000446  -0.007387  -0.055096  -0.014355   0.003438
    33  H    0.012286  -0.003106   0.003002   0.464527   0.003556  -0.002703
    34  H   -0.009680  -0.002735   0.003510   0.462580   0.002997  -0.003138
    35  H    0.005638   0.003383  -0.014523  -0.051941  -0.007426  -0.000432
    36  H   -0.010149   0.013846  -0.045717  -0.040097   0.002119   0.005980
    37  H    0.007758   0.021083   0.007029  -0.092215   0.003984  -0.006871
               7          8          9         10         11         12
     1  C   -0.069146  -0.025762   1.154625  -0.033568   0.019220  -0.005918
     2  C   -0.040773   0.003711   0.213418  -0.029856  -0.043601   0.003177
     3  N   -0.033993   0.202983   0.385727   0.366562   0.077482  -0.008893
     4  Rh  -1.644115  -7.017723  -6.997315  -6.685909  -1.377653   0.420690
     5  N    0.375933   0.389195   0.207014   0.197749  -0.071408   0.029410
     6  C    0.298724   0.215210   0.004169   0.215977  -0.001571  -0.082439
     7  C    5.345960   1.156940  -0.025632   0.168504  -0.001498   0.106515
     8  N    1.156940  10.105434   0.422849   0.975115   0.222880  -0.581365
     9  N   -0.025632   0.422849  10.095053   0.321492   0.131312  -0.004207
    10  N    0.168504   0.975115   0.321492   9.740663   0.980113   0.021735
    11  C   -0.001498   0.222880   0.131312   0.980113   5.169812  -0.008227
    12  H    0.106515  -0.581365  -0.004207   0.021735  -0.008227   2.158612
    13  H   -0.407657  -0.145670  -0.007765  -0.037234   0.006364  -0.555746
    14  H   -0.131612   0.007380   0.016935  -0.009633   0.006964  -0.047219
    15  H   -0.064689  -0.012946  -0.024727   0.009787  -0.000038  -0.176726
    16  H    0.000270   0.016882   0.007700  -0.001461  -0.004023   0.000289
    17  H    0.003777  -0.024512  -0.012863  -0.025984  -0.002249   0.000179
    18  H   -0.005928  -0.004192  -0.580297   0.013065   0.005725  -0.000044
    19  H    0.011937  -0.007776  -0.144398  -0.022050  -0.004285  -0.000507
    20  H    0.007971   0.021047   0.389990  -0.007354   0.001584   0.000171
    21  H   -0.004233   0.000397   0.128671   0.021582   0.016095  -0.000840
    22  H    0.009615  -0.042593  -0.018451   0.018614   0.005702  -0.000131
    23  H    0.024433   0.013708   0.002411  -0.001819  -0.010592   0.006320
    24  H    0.044606  -0.018686  -0.042587   0.043639   0.000673   0.010628
    25  H   -0.033167   0.002595   0.013822  -0.000248   0.007994   0.003054
    26  H   -0.165916   0.389763   0.021055   0.056140   0.035336  -0.029865
    27  H    0.017358   0.129073   0.000410   0.005547  -0.007905   0.039487
    28  C    0.019344   0.132053   0.221980   0.054672   0.233592   0.005822
    29  N   -0.032859   0.326433   0.972518   0.448220   0.053451   0.013087
    30  H   -0.010091  -0.020914   0.023283   0.281438  -0.003020   0.001564
    31  H    0.007809   0.021407  -0.035236   0.426802  -0.091827   0.002317
    32  H    0.005577   0.036966  -0.043438   0.049591  -0.292852  -0.004805
    33  H   -0.009673  -0.041177   0.041599  -0.572042  -0.048384  -0.000606
    34  H    0.012360   0.041507  -0.040973  -0.009256   0.035462   0.001076
    35  H   -0.011186  -0.043330   0.036376   0.083312  -0.096347  -0.000226
    36  H   -0.003787   0.023477  -0.021043   0.017030   0.015076  -0.000055
    37  H   -0.005965  -0.035347   0.021405  -0.033124   0.011892   0.004105
              13         14         15         16         17         18
     1  C    0.011900   0.000302   0.003736  -0.130939  -0.065651   0.106734
     2  C   -0.002529   0.002020  -0.011335   0.082316  -0.431100  -0.082249
     3  N    0.053057   0.007124  -0.028605  -0.717816  -0.136908   0.029699
     4  Rh   0.251585   0.596545   0.308891   0.594368   0.308867   0.419666
     5  N    0.031852  -0.718987  -0.136522   0.007015  -0.028496  -0.008991
     6  C   -0.089396   0.082061  -0.432157   0.002035  -0.011347   0.003218
     7  C   -0.407657  -0.131612  -0.064689   0.000270   0.003777  -0.005928
     8  N   -0.145670   0.007380  -0.012946   0.016882  -0.024512  -0.004192
     9  N   -0.007765   0.016935  -0.024727   0.007700  -0.012863  -0.580297
    10  N   -0.037234  -0.009633   0.009787  -0.001461  -0.025984   0.013065
    11  C    0.006364   0.006964  -0.000038  -0.004023  -0.002249   0.005725
    12  H   -0.555746  -0.047219  -0.176726   0.000289   0.000179  -0.000044
    13  H    2.410547  -0.166522   0.182917   0.000032  -0.001155  -0.000505
    14  H   -0.166522   2.209558  -0.550944   0.001963  -0.000816   0.000298
    15  H    0.182917  -0.550944   2.480874  -0.000815  -0.000749   0.000177
    16  H    0.000032   0.001963  -0.000815   2.208855  -0.550493  -0.047366
    17  H   -0.001155  -0.000816  -0.000749  -0.550493   2.479856  -0.176634
    18  H   -0.000505   0.000298   0.000177  -0.047366  -0.176634   2.158195
    19  H    0.003577   0.000026  -0.001157  -0.166259   0.182763  -0.555969
    20  H   -0.000004  -0.000306  -0.000757   0.010440  -0.010858  -0.029966
    21  H    0.000521   0.002392  -0.000170   0.001544  -0.004831   0.039397
    22  H    0.009609  -0.000511  -0.002838  -0.035095   0.055641   0.010638
    23  H   -0.011921   0.004359  -0.004718   0.058374  -0.107982   0.003064
    24  H   -0.023472  -0.035001   0.055748  -0.000529  -0.002827  -0.000136
    25  H   -0.005347   0.058377  -0.107979   0.004365  -0.004722   0.006329
    26  H    0.055236   0.010441  -0.010867  -0.000302  -0.000758   0.000172
    27  H   -0.096198   0.001539  -0.004764   0.002388  -0.000147  -0.000841
    28  C   -0.004388  -0.003986  -0.002385   0.006959  -0.000006  -0.008086
    29  N   -0.022063  -0.001420  -0.026115  -0.009663   0.010320   0.021825
    30  H   -0.005415  -0.004099   0.013218   0.000377  -0.000649  -0.000056
    31  H   -0.002753   0.003746  -0.007480  -0.000565  -0.001820   0.004101
    32  H   -0.000713  -0.001491   0.000249  -0.000391  -0.000200  -0.000221
    33  H    0.000197  -0.000332   0.006030  -0.000008  -0.000278   0.001061
    34  H    0.000034  -0.000007  -0.000292  -0.000329   0.005991  -0.000606
    35  H   -0.001085  -0.000389  -0.000204  -0.001478   0.000258  -0.004745
    36  H   -0.000228   0.000378  -0.000653  -0.004044   0.012911   0.001577
    37  H   -0.002369  -0.000575  -0.001824   0.003737  -0.007394   0.002301
              19         20         21         22         23         24
     1  C   -0.408152  -0.165806   0.017486   0.044730  -0.033039   0.009527
     2  C   -0.088749   0.030226  -0.010460  -0.128770  -0.004146   0.000960
     3  N    0.032183  -0.041903   0.012415   0.396540   0.065426   0.000342
     4  Rh   0.249239  -0.226076   0.108069  -0.137173   0.104750  -0.137002
     5  N    0.053495   0.065613  -0.078197   0.000399   0.023874   0.395708
     6  C   -0.002579   0.008261  -0.013964   0.000947   0.011637  -0.128803
     7  C    0.011937   0.007971  -0.004233   0.009615   0.024433   0.044606
     8  N   -0.007776   0.021047   0.000397  -0.042593   0.013708  -0.018686
     9  N   -0.144398   0.389990   0.128671  -0.018451   0.002411  -0.042587
    10  N   -0.022050  -0.007354   0.021582   0.018614  -0.001819   0.043639
    11  C   -0.004285   0.001584   0.016095   0.005702  -0.010592   0.000673
    12  H   -0.000507   0.000171  -0.000840  -0.000131   0.006320   0.010628
    13  H    0.003577  -0.000004   0.000521   0.009609  -0.011921  -0.023472
    14  H    0.000026  -0.000306   0.002392  -0.000511   0.004359  -0.035001
    15  H   -0.001157  -0.000757  -0.000170  -0.002838  -0.004718   0.055748
    16  H   -0.166259   0.010440   0.001544  -0.035095   0.058374  -0.000529
    17  H    0.182763  -0.010858  -0.004831   0.055641  -0.107982  -0.002827
    18  H   -0.555969  -0.029966   0.039397   0.010638   0.003064  -0.000136
    19  H    2.410705   0.055179  -0.096163  -0.023626  -0.005303   0.009685
    20  H    0.055179   0.844326  -0.149668  -0.001380   0.002131   0.001582
    21  H   -0.096163  -0.149668   0.921723   0.002827  -0.000264   0.001025
    22  H   -0.023626  -0.001380   0.002827   0.836038  -0.155502   0.008893
    23  H   -0.005303   0.002131  -0.000264  -0.155502   0.933543  -0.005145
    24  H    0.009685   0.001582   0.001025   0.008893  -0.005145   0.837021
    25  H   -0.012015  -0.002647   0.005650  -0.005133   0.003278  -0.155600
    26  H   -0.000004  -0.000707   0.000421   0.001570  -0.002659  -0.001369
    27  H    0.000532   0.000426  -0.000095   0.001009   0.005676   0.002831
    28  C    0.006286   0.035204  -0.007727   0.000701   0.008008   0.005709
    29  N   -0.037132   0.055964   0.005365   0.043451  -0.000150   0.018590
    30  H   -0.000234   0.001269  -0.002519  -0.000022   0.000513   0.002983
    31  H   -0.002381  -0.000695   0.008110   0.000631   0.000580  -0.001597
    32  H   -0.001083  -0.001433  -0.003951   0.000825   0.000143   0.000699
    33  H    0.000040  -0.001166   0.004848  -0.000056  -0.000684  -0.000583
    34  H    0.000196   0.001599   0.002285  -0.000580   0.000761  -0.000057
    35  H   -0.000747   0.004274  -0.003128   0.000687  -0.001276   0.000830
    36  H   -0.005421   0.004749  -0.001825   0.002959  -0.000059  -0.000020
    37  H   -0.002740  -0.001960   0.002428  -0.001599   0.002964   0.000628
              25         26         27         28         29         30
     1  C    0.024399   0.007985  -0.004263  -0.001549   0.166997  -0.003807
     2  C    0.011701   0.008220  -0.013930  -0.002260   0.213998   0.005948
     3  N    0.023797   0.065352  -0.077936  -0.071822   0.196609   0.002082
     4  Rh   0.105434  -0.226447   0.107562  -1.380148  -6.684519  -0.039311
     5  N    0.064734  -0.041932   0.012362   0.077610   0.368842  -0.045924
     6  C   -0.004258   0.030272  -0.010115  -0.043526  -0.029047   0.013566
     7  C   -0.033167  -0.165916   0.017358   0.019344  -0.032859  -0.010091
     8  N    0.002595   0.389763   0.129073   0.132053   0.326433  -0.020914
     9  N    0.013822   0.021055   0.000410   0.221980   0.972518   0.023283
    10  N   -0.000248   0.056140   0.005547   0.054672   0.448220   0.281438
    11  C    0.007994   0.035336  -0.007905   0.233592   0.053451  -0.003020
    12  H    0.003054  -0.029865   0.039487   0.005822   0.013087   0.001564
    13  H   -0.005347   0.055236  -0.096198  -0.004388  -0.022063  -0.005415
    14  H    0.058377   0.010441   0.001539  -0.003986  -0.001420  -0.004099
    15  H   -0.107979  -0.010867  -0.004764  -0.002385  -0.026115   0.013218
    16  H    0.004365  -0.000302   0.002388   0.006959  -0.009663   0.000377
    17  H   -0.004722  -0.000758  -0.000147  -0.000006   0.010320  -0.000649
    18  H    0.006329   0.000172  -0.000841  -0.008086   0.021825  -0.000056
    19  H   -0.012015  -0.000004   0.000532   0.006286  -0.037132  -0.000234
    20  H   -0.002647  -0.000707   0.000426   0.035204   0.055964   0.001269
    21  H    0.005650   0.000421  -0.000095  -0.007727   0.005365  -0.002519
    22  H   -0.005133   0.001570   0.001009   0.000701   0.043451  -0.000022
    23  H    0.003278  -0.002659   0.005676   0.008008  -0.000150   0.000513
    24  H   -0.155600  -0.001369   0.002831   0.005709   0.018590   0.002983
    25  H    0.933853   0.002131  -0.000255  -0.010574  -0.001771  -0.000052
    26  H    0.002131   0.844850  -0.149740   0.001555  -0.007197   0.004870
    27  H   -0.000255  -0.149740   0.921315   0.016177   0.021121  -0.001853
    28  C   -0.010574   0.001555   0.016177   5.171294   0.981266   0.015178
    29  N   -0.001771  -0.007197   0.021121   0.981266   9.736832   0.016736
    30  H   -0.000052   0.004870  -0.001853   0.015178   0.016736   0.935160
    31  H    0.002966  -0.002000   0.002450   0.011800  -0.032615  -0.150918
    32  H   -0.001284   0.004428  -0.003155  -0.096782   0.084557  -0.098154
    33  H    0.000771   0.001587   0.002277   0.035183  -0.009808   0.014086
    34  H   -0.000683  -0.001215   0.004861  -0.048375  -0.570385   0.010068
    35  H    0.000128  -0.001426  -0.003951  -0.293828   0.048702  -0.003809
    36  H    0.000517   0.001283  -0.002532  -0.003057   0.281761  -0.000178
    37  H    0.000581  -0.000713   0.008161  -0.092111   0.426922   0.004093
              31         32         33         34         35         36
     1  C   -0.005999  -0.011138   0.012286  -0.009680   0.005638  -0.010149
     2  C   -0.006836  -0.000446  -0.003106  -0.002735   0.003383   0.013846
     3  N    0.003973  -0.007387   0.003002   0.003510  -0.014523  -0.045717
     4  Rh  -0.093094  -0.055096   0.464527   0.462580  -0.051941  -0.040097
     5  N    0.007205  -0.014355   0.003556   0.002997  -0.007426   0.002119
     6  C    0.021195   0.003438  -0.002703  -0.003138  -0.000432   0.005980
     7  C    0.007809   0.005577  -0.009673   0.012360  -0.011186  -0.003787
     8  N    0.021407   0.036966  -0.041177   0.041507  -0.043330   0.023477
     9  N   -0.035236  -0.043438   0.041599  -0.040973   0.036376  -0.021043
    10  N    0.426802   0.049591  -0.572042  -0.009256   0.083312   0.017030
    11  C   -0.091827  -0.292852  -0.048384   0.035462  -0.096347   0.015076
    12  H    0.002317  -0.004805  -0.000606   0.001076  -0.000226  -0.000055
    13  H   -0.002753  -0.000713   0.000197   0.000034  -0.001085  -0.000228
    14  H    0.003746  -0.001491  -0.000332  -0.000007  -0.000389   0.000378
    15  H   -0.007480   0.000249   0.006030  -0.000292  -0.000204  -0.000653
    16  H   -0.000565  -0.000391  -0.000008  -0.000329  -0.001478  -0.004044
    17  H   -0.001820  -0.000200  -0.000278   0.005991   0.000258   0.012911
    18  H    0.004101  -0.000221   0.001061  -0.000606  -0.004745   0.001577
    19  H   -0.002381  -0.001083   0.000040   0.000196  -0.000747  -0.005421
    20  H   -0.000695  -0.001433  -0.001166   0.001599   0.004274   0.004749
    21  H    0.008110  -0.003951   0.004848   0.002285  -0.003128  -0.001825
    22  H    0.000631   0.000825  -0.000056  -0.000580   0.000687   0.002959
    23  H    0.000580   0.000143  -0.000684   0.000761  -0.001276  -0.000059
    24  H   -0.001597   0.000699  -0.000583  -0.000057   0.000830  -0.000020
    25  H    0.002966  -0.001284   0.000771  -0.000683   0.000128   0.000517
    26  H   -0.002000   0.004428   0.001587  -0.001215  -0.001426   0.001283
    27  H    0.002450  -0.003155   0.002277   0.004861  -0.003951  -0.002532
    28  C    0.011800  -0.096782   0.035183  -0.048375  -0.293828  -0.003057
    29  N   -0.032615   0.084557  -0.009808  -0.570385   0.048702   0.281761
    30  H   -0.150918  -0.098154   0.014086   0.010068  -0.003809  -0.000178
    31  H    0.781498   0.041423  -0.025359   0.005904  -0.026305   0.004097
    32  H    0.041423   2.420827  -0.536813  -0.162131   0.175564  -0.003786
    33  H   -0.025359  -0.536813   2.172019  -0.033911  -0.161951   0.010029
    34  H    0.005904  -0.162131  -0.033911   2.171222  -0.536668   0.014116
    35  H   -0.026305   0.175564  -0.161951  -0.536668   2.420692  -0.098045
    36  H    0.004097  -0.003786   0.010029   0.014116  -0.098045   0.934979
    37  H   -0.003611  -0.026298   0.005909  -0.025539   0.041509  -0.150866
              37
     1  C    0.007758
     2  C    0.021083
     3  N    0.007029
     4  Rh  -0.092215
     5  N    0.003984
     6  C   -0.006871
     7  C   -0.005965
     8  N   -0.035347
     9  N    0.021405
    10  N   -0.033124
    11  C    0.011892
    12  H    0.004105
    13  H   -0.002369
    14  H   -0.000575
    15  H   -0.001824
    16  H    0.003737
    17  H   -0.007394
    18  H    0.002301
    19  H   -0.002740
    20  H   -0.001960
    21  H    0.002428
    22  H   -0.001599
    23  H    0.002964
    24  H    0.000628
    25  H    0.000581
    26  H   -0.000713
    27  H    0.008161
    28  C   -0.092111
    29  N    0.426922
    30  H    0.004093
    31  H   -0.003611
    32  H   -0.026298
    33  H    0.005909
    34  H   -0.025539
    35  H    0.041509
    36  H   -0.150866
    37  H    0.781251
 Mulliken charges:
               1
     1  C    1.084472
     2  C    1.113419
     3  N    0.250358
     4  Rh  -0.594012
     5  N    0.251802
     6  C    1.113936
     7  C    1.084287
     8  N    0.164989
     9  N    0.165119
    10  N   -0.047811
    11  C    1.028751
    12  H   -0.320422
    13  H   -0.427296
    14  H   -0.338558
    15  H   -0.449170
    16  H   -0.338336
    17  H   -0.449135
    18  H   -0.320408
    19  H   -0.427115
    20  H    0.100682
    21  H    0.074785
    22  H    0.101430
    23  H    0.069308
    24  H    0.101106
    25  H    0.069259
    26  H    0.100451
    27  H    0.075117
    28  C    1.030216
    29  N   -0.048823
    30  H    0.044591
    31  H    0.133078
    32  H   -0.456885
    33  H   -0.330366
    34  H   -0.329971
    35  H   -0.456909
    36  H    0.044679
    37  H    0.133383
 Sum of Mulliken charges =   3.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.336949
     2  C    0.325948
     3  N    0.421095
     4  Rh  -0.594012
     5  N    0.422166
     6  C    0.326208
     7  C    0.336569
     8  N    0.340557
     9  N    0.340586
    10  N    0.129858
    11  C    0.241500
    28  C    0.243336
    29  N    0.129239
 Electronic spatial extent (au):  <R**2>=           2776.5691
 Charge=              3.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0015    Y=              0.0380    Z=              0.0019  Tot=              0.0380
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -30.5890   YY=            -30.8191   ZZ=            -52.4085
   XY=              0.0118   XZ=              0.0997   YZ=             -0.0020
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              7.3499   YY=              7.1198   ZZ=            -14.4696
   XY=              0.0118   XZ=              0.0997   YZ=             -0.0020
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -2.4943  YYY=             38.2707  ZZZ=              0.0015  XYY=              2.4721
  XXY=            -37.3758  XXZ=             -0.0462  XZZ=             -0.0262  YZZ=             -0.4483
  YYZ=              0.0393  XYZ=             -0.8122
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -995.2303 YYYY=           -961.8370 ZZZZ=           -384.1355 XXXY=              0.3602
 XXXZ=             36.5094 YYYX=              0.0009 YYYZ=              2.5178 ZZZX=              4.7581
 ZZZY=             -0.1191 XXYY=           -323.2641 XXZZ=           -233.4106 YYZZ=           -235.8700
 XXYZ=             -2.4960 YYXZ=            -38.7652 ZZXY=             -0.1027
 N-N= 1.198209073905D+03 E-N=-3.902775539374D+03  KE= 6.060378572616D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Jul 19 02:08:26 2021, MaxMem=  5637144576 cpu:               6.5 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 6.58655459D-04 1.43809002D-02 7.25989390D-04
 Polarizability= 1.49422457D+02-4.41604134D-03 1.48319784D+02
                -4.53560410D-02-4.68735167D-05 1.20631710D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0261    0.0231       -0.0022   -0.0025
 2     -0.0261   -0.0231        0.0006    0.0001       -0.6234   -0.6332
 3      0.0022    0.0025       15.7699   15.7716        0.0005   -0.0001
 4     -0.0006   -0.0001        0.0000    0.0000        0.0028    0.0025
 5    -15.1465  -15.1384       -0.0028   -0.0025        0.0249    0.0231
 6     -0.0005    0.0001       -0.0249   -0.0231       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0693   -0.0693       -0.0074   -0.0074
 2     -0.0004   -0.0004       -0.0000    0.0000       -0.0074   -0.0074
 3     -0.0004   -0.0004       -0.0693   -0.0693       -0.0000    0.0000
 4     -0.0693   -0.0693        0.0004    0.0004       -1.8996   -1.8996
 5      0.0074    0.0074       47.3147   47.3147       -0.0004   -0.0004
 6    -45.4152  -45.4152       -0.0074   -0.0074        0.0693    0.0693
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0327    0.0000       -0.1712   -0.0924       -0.0197    0.0099
 2      0.1191    0.0924       -0.0215   -0.0005        2.4447    2.5327
 3     -0.0081   -0.0099      -63.1102  -63.0863       -0.0057    0.0005
 4      0.0298    0.0005       -0.0220    0.0000       -0.0673   -0.0099
 5     60.5843   60.5536        0.0096    0.0099       -0.0802   -0.0924
 6      0.0096   -0.0005        0.0965    0.0924       -0.0039    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1170    0.0000        4.6183    5.0063        0.1092   -0.1842
 2     -4.9513   -5.0063       -0.2083   -0.1431       -8.5582   -8.9574
 3      0.2745    0.1842        4.4628    3.6833       -0.2506    0.1431
 4      0.1926    0.1431        0.5773    0.0000       -0.0073    0.1842
 5      5.0065    5.2742       -0.2039   -0.1842        5.3717    5.0063
 6     -0.1454   -0.1431       -5.0448   -5.0063       -0.0594    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      6.9461    6.9781       90.2568   90.2550       -0.3225   -0.3853
 2      7.0898    7.1376       96.8536   96.8422       -0.3226   -0.3853
 3      7.1053    7.1376       90.2755   90.2550       -0.4078   -0.4635
 4     -6.6451   -6.5873       -0.1214   -0.1595        3.9580    4.0292
 5     -0.0881   -0.0782      -35.4635  -35.4834        0.0800    0.1595
 6     31.4383   31.4542        0.0842    0.0782        6.4040    6.5873
 Full mass-weighted force constant matrix:
 Low frequencies ---  -13.4836  -11.2898   -6.5340   -0.0004   -0.0003   -0.0002
 Low frequencies ---   84.2247   87.9363  101.8202
 Diagonal vibrational polarizability:
       14.0892078      12.8852557      13.4777204
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     84.1902                87.9342               101.7887
 Red. masses --      2.9562                 2.9808                 2.8609
 Frc consts  --      0.0123                 0.0136                 0.0175
 IR Inten    --      0.0095                 0.0097                 0.0472
 RamAct Fr= 1--      1.1488                 1.0604                 0.1800
  Dep-P Fr= 1--      0.7494                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8568                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1640                 0.1515                 0.0257
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--     -0.4258                -0.2070                 0.0979
 Delta2 Fr= 1--     -0.0582                -0.0488                -0.0183
 Raman1 Fr= 1--       4.595                  4.242                  0.720
 ROA1   Fr= 1--     -42.744                -21.432                  8.811
 CID1   Fr= 1--      -9.302                 -5.053                 12.238
 Raman2 Fr= 1--       1.968                  1.818                  0.309
 ROA2   Fr= 1--      -9.754                 -4.577                  2.496
 CID2   Fr= 1--      -4.955                 -2.518                  8.090
 Raman3 Fr= 1--       3.937                  3.636                  0.617
 ROA3   Fr= 1--     -42.744                -21.432                  8.811
 CID3   Fr= 1--     -10.857                 -5.895                 14.278
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.04   0.01    -0.11   0.15   0.08     0.07   0.03  -0.09
     2   6    -0.08   0.09   0.01    -0.02   0.18   0.08    -0.03  -0.03  -0.09
     3   7    -0.08   0.00   0.01     0.01  -0.02  -0.05    -0.05   0.02   0.02
     4  45    -0.02  -0.04   0.01     0.03  -0.02  -0.01     0.01   0.00   0.06
     5   7     0.03  -0.02   0.04     0.07   0.01  -0.03    -0.06  -0.02   0.02
     6   6     0.07   0.19  -0.08     0.06  -0.02   0.03    -0.03   0.03  -0.09
     7   6     0.15   0.14  -0.08     0.00  -0.04   0.03     0.06  -0.04  -0.08
     8   7    -0.03   0.01   0.04     0.01  -0.03   0.02     0.03  -0.09   0.03
     9   7     0.01  -0.02  -0.03     0.03   0.03  -0.02     0.03   0.08   0.04
    10   7     0.04  -0.06   0.02     0.00   0.02   0.02     0.05  -0.04   0.02
    11   6     0.08  -0.07   0.03    -0.14   0.04  -0.02    -0.11   0.04  -0.12
    12   1     0.17   0.29  -0.14    -0.01  -0.07   0.08     0.08  -0.01  -0.14
    13   1     0.31   0.04  -0.09    -0.04  -0.04   0.00     0.12  -0.09  -0.10
    14   1     0.20   0.27  -0.14     0.05  -0.02   0.03    -0.01   0.06  -0.15
    15   1    -0.09   0.29  -0.10     0.09  -0.02   0.06    -0.10   0.07  -0.09
    16   1    -0.15   0.13   0.04    -0.13   0.25   0.14    -0.00  -0.07  -0.16
    17   1    -0.03   0.14  -0.01     0.13   0.26   0.11    -0.10  -0.08  -0.09
    18   1    -0.07   0.10   0.00    -0.13   0.28   0.15     0.08  -0.00  -0.15
    19   1    -0.13  -0.00   0.04    -0.27   0.07   0.08     0.14   0.08  -0.10
    20   1     0.05   0.02  -0.09     0.12   0.11  -0.11     0.00   0.05   0.12
    21   1     0.04  -0.08  -0.03     0.04  -0.09  -0.02     0.03   0.19   0.03
    22   1    -0.14  -0.02  -0.01    -0.10  -0.06  -0.17    -0.02   0.03   0.09
    23   1    -0.07  -0.01   0.01     0.13  -0.12  -0.03    -0.14   0.06   0.02
    24   1     0.15  -0.07   0.16     0.06   0.01  -0.08    -0.03  -0.02   0.09
    25   1    -0.08  -0.11   0.03     0.12   0.05  -0.02    -0.14  -0.05   0.02
    26   1    -0.12   0.11   0.15     0.02  -0.04   0.02     0.01  -0.06   0.11
    27   1    -0.06  -0.12   0.03    -0.01  -0.03   0.01     0.02  -0.19   0.03
    28   6     0.07  -0.01  -0.01    -0.15  -0.07  -0.03    -0.11  -0.03  -0.12
    29   7    -0.02  -0.01  -0.02    -0.03  -0.07  -0.00     0.05   0.04   0.02
    30   1     0.03  -0.10   0.01     0.03   0.09   0.09     0.09  -0.01   0.14
    31   1     0.04  -0.04   0.02     0.06  -0.03  -0.02     0.14  -0.15  -0.05
    32   1     0.07  -0.12   0.05    -0.15   0.14  -0.00    -0.11   0.21  -0.12
    33   1     0.14  -0.07   0.04    -0.21   0.03  -0.04    -0.20  -0.02  -0.22
    34   1     0.09  -0.01   0.00    -0.24  -0.06  -0.06    -0.19   0.03  -0.21
    35   1     0.09   0.04  -0.03    -0.15  -0.17  -0.04    -0.12  -0.20  -0.11
    36   1    -0.04   0.02  -0.08    -0.01  -0.13   0.04     0.09   0.01   0.15
    37   1    -0.06  -0.04   0.00     0.00  -0.01  -0.02     0.15   0.15  -0.04
                      4                      5                      6
                      A                      A                      A
 Frequencies --    144.5414               145.1794               163.0770
 Red. masses --      2.9263                 2.9334                 2.6836
 Frc consts  --      0.0360                 0.0364                 0.0420
 IR Inten    --      0.7408                 0.5929                 0.1302
 RamAct Fr= 1--      0.3772                 0.2482                 1.7148
  Dep-P Fr= 1--      0.7462                 0.6997                 0.7202
  Dep-U Fr= 1--      0.8547                 0.8233                 0.8374
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0009
 Beta2  Fr= 1--      0.0537                 0.0341                 0.2393
 AlphaG Fr= 1--     -0.0000                -0.0001                -0.0052
 Gamma2 Fr= 1--      0.8492                 0.6690                -1.4932
 Delta2 Fr= 1--      0.2803                 0.2089                -0.6292
 Raman1 Fr= 1--       1.509                  0.993                  6.859
 ROA1   Fr= 1--      90.496                 70.905               -163.486
 CID1   Fr= 1--      59.972                 71.417                -23.834
 Raman2 Fr= 1--       0.645                  0.409                  2.872
 ROA2   Fr= 1--      18.139                 14.384                -30.804
 CID2   Fr= 1--      28.129                 35.194                -10.726
 Raman3 Fr= 1--       1.290                  0.817                  5.744
 ROA3   Fr= 1--      90.496                 70.905               -163.486
 CID3   Fr= 1--      70.170                 86.741                -28.464
 RC180  Fr= 1--       0.709                  0.647                  0.675
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.00   0.07    -0.06   0.09  -0.05    -0.07   0.07   0.01
     2   6     0.05  -0.10   0.06    -0.01  -0.06  -0.07     0.02  -0.09  -0.01
     3   7     0.07  -0.08  -0.03    -0.00  -0.10  -0.09     0.03  -0.07  -0.06
     4  45    -0.01   0.01   0.00    -0.01  -0.02   0.00     0.00   0.00  -0.00
     5   7     0.06   0.12  -0.08     0.05  -0.03   0.04    -0.04  -0.07   0.06
     6   6     0.04   0.11  -0.00     0.05   0.01   0.09    -0.02  -0.09   0.01
     7   6    -0.07  -0.06   0.02     0.02   0.07   0.08     0.07   0.07  -0.01
     8   7    -0.09  -0.09   0.09    -0.01   0.06   0.01     0.06   0.08  -0.08
     9   7    -0.08   0.03   0.08    -0.04   0.11   0.05    -0.06   0.09   0.08
    10   7     0.07  -0.05   0.00    -0.11  -0.04  -0.09     0.10   0.01   0.07
    11   6     0.07  -0.02  -0.05    -0.03  -0.01  -0.13     0.04  -0.00   0.08
    12   1    -0.10  -0.11   0.11     0.02   0.11   0.09     0.09   0.14  -0.08
    13   1    -0.13  -0.11  -0.11     0.03   0.08   0.11     0.13   0.11   0.12
    14   1     0.09   0.17  -0.09     0.07   0.01   0.13    -0.08  -0.15   0.10
    15   1     0.05   0.19   0.13     0.04   0.01   0.07    -0.01  -0.18  -0.11
    16   1     0.10  -0.13   0.02    -0.00  -0.09  -0.15     0.07  -0.15  -0.10
    17   1     0.06  -0.15   0.15    -0.00  -0.11   0.03     0.00  -0.18   0.11
    18   1    -0.07   0.02   0.14    -0.07   0.16  -0.00    -0.09   0.14   0.09
    19   1    -0.08   0.04  -0.01    -0.10   0.14  -0.15    -0.13   0.12  -0.12
    20   1    -0.07   0.02   0.16    -0.01   0.11   0.17    -0.03   0.09   0.18
    21   1    -0.15   0.08   0.07    -0.09   0.20   0.04    -0.11   0.17   0.07
    22   1     0.10  -0.05  -0.14    -0.01  -0.08  -0.18     0.06  -0.06  -0.13
    23   1     0.13  -0.16  -0.02     0.01  -0.20  -0.07     0.06  -0.14  -0.06
    24   1     0.08   0.09  -0.22     0.07  -0.03   0.05    -0.06  -0.05   0.13
    25   1     0.11   0.24  -0.06     0.08  -0.05   0.04    -0.06  -0.14   0.05
    26   1    -0.06  -0.08   0.23    -0.04   0.07  -0.02     0.03   0.09  -0.17
    27   1    -0.18  -0.19   0.08    -0.03   0.10   0.01     0.11   0.16  -0.07
    28   6     0.04   0.02  -0.12     0.07   0.00   0.07    -0.04  -0.00  -0.08
    29   7    -0.02   0.06  -0.06     0.13  -0.01   0.07    -0.09   0.01  -0.07
    30   1     0.08  -0.09   0.07    -0.14  -0.04  -0.20     0.12  -0.01   0.16
    31   1     0.12  -0.06  -0.03    -0.21  -0.07  -0.04     0.18   0.02   0.03
    32   1     0.03  -0.02  -0.01     0.08   0.03  -0.25    -0.05  -0.03   0.18
    33   1     0.12  -0.04  -0.07    -0.14  -0.03  -0.18     0.13   0.00   0.11
    34   1     0.00   0.05  -0.17     0.19  -0.01   0.10    -0.14   0.01  -0.11
    35   1     0.08  -0.01  -0.17    -0.04   0.04   0.19     0.05  -0.04  -0.18
    36   1    -0.03   0.09  -0.08     0.16   0.02   0.19    -0.11  -0.01  -0.15
    37   1    -0.04   0.09  -0.05     0.23  -0.03   0.01    -0.17   0.03  -0.03
                      7                      8                      9
                      A                      A                      A
 Frequencies --    215.2628               217.8485               221.5678
 Red. masses --      2.8013                 2.7824                 2.9697
 Frc consts  --      0.0765                 0.0778                 0.0859
 IR Inten    --      4.4550                 5.9166                15.5955
 RamAct Fr= 1--      2.9900                 3.0749                 0.0896
  Dep-P Fr= 1--      0.7281                 0.7500                 0.7329
  Dep-U Fr= 1--      0.8426                 0.8571                 0.8458
 Alpha2 Fr= 1--      0.0011                 0.0000                 0.0000
 Beta2  Fr= 1--      0.4199                 0.4393                 0.0126
 AlphaG Fr= 1--     -0.0050                -0.0000                 0.0000
 Gamma2 Fr= 1--     -0.3333                -0.4892                -0.1080
 Delta2 Fr= 1--      0.1139                 0.0520                -0.0259
 Raman1 Fr= 1--      11.960                 12.300                  0.358
 ROA1   Fr= 1--     -28.347                -45.299                -11.196
 CID1   Fr= 1--      -2.370                 -3.683                -31.242
 Raman2 Fr= 1--       5.039                  5.271                  0.152
 ROA2   Fr= 1--      -8.909                -12.156                 -2.384
 CID2   Fr= 1--      -1.768                 -2.306                -15.730
 Raman3 Fr= 1--      10.078                 10.542                  0.303
 ROA3   Fr= 1--     -28.347                -45.299                -11.196
 CID3   Fr= 1--      -2.813                 -4.297                -36.935
 RC180  Fr= 1--       0.685                  0.714                  0.692
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.01    -0.07  -0.08  -0.00     0.00   0.04  -0.04
     2   6    -0.09  -0.00  -0.01    -0.05  -0.01  -0.00    -0.01   0.03  -0.04
     3   7    -0.11   0.10   0.10    -0.04  -0.06  -0.06    -0.01  -0.10  -0.04
     4  45     0.00  -0.01  -0.00    -0.01   0.00   0.02     0.00  -0.00   0.07
     5   7     0.11   0.09  -0.09    -0.03   0.07  -0.06    -0.00   0.10  -0.04
     6   6     0.09  -0.00   0.01    -0.05   0.01   0.00    -0.01  -0.03  -0.04
     7   6    -0.01   0.00   0.01    -0.06   0.08  -0.00    -0.00  -0.03  -0.04
     8   7     0.06   0.07  -0.08     0.00   0.13  -0.05     0.11   0.03  -0.04
     9   7    -0.06   0.08   0.09    -0.00  -0.12  -0.05     0.10  -0.03  -0.04
    10   7     0.02  -0.07  -0.02     0.14  -0.03   0.08    -0.12  -0.06  -0.04
    11   6     0.01  -0.10   0.02     0.02   0.03  -0.02     0.02  -0.06  -0.04
    12   1    -0.04  -0.07   0.10    -0.06   0.04   0.00     0.00  -0.12  -0.03
    13   1    -0.12   0.06  -0.01    -0.11   0.13   0.03    -0.08   0.01  -0.03
    14   1     0.04  -0.03   0.05    -0.09  -0.03   0.07    -0.10  -0.07  -0.04
    15   1     0.18  -0.04   0.05     0.02  -0.05  -0.03     0.07  -0.08  -0.03
    16   1    -0.04  -0.04  -0.05    -0.09   0.03   0.06    -0.10   0.07  -0.04
    17   1    -0.19  -0.04  -0.05     0.01   0.05  -0.03     0.07   0.07  -0.03
    18   1     0.04  -0.07  -0.10    -0.06  -0.04  -0.00     0.01   0.12  -0.04
    19   1     0.13   0.06   0.01    -0.11  -0.12   0.03    -0.07  -0.01  -0.03
    20   1    -0.08   0.03   0.24    -0.00  -0.10  -0.16     0.12   0.01  -0.17
    21   1    -0.13   0.21   0.07     0.06  -0.20  -0.04     0.21  -0.12  -0.02
    22   1    -0.08   0.10   0.26    -0.06  -0.06  -0.16    -0.05  -0.11  -0.18
    23   1    -0.19   0.25   0.08     0.01  -0.16  -0.04     0.01  -0.25  -0.02
    24   1     0.08   0.09  -0.25    -0.06   0.07  -0.17    -0.05   0.11  -0.18
    25   1     0.20   0.23  -0.07     0.02   0.17  -0.05     0.02   0.25  -0.02
    26   1     0.08   0.03  -0.23     0.01   0.10  -0.17     0.13  -0.01  -0.18
    27   1     0.13   0.19  -0.07     0.07   0.21  -0.04     0.22   0.12  -0.02
    28   6    -0.01  -0.10  -0.02     0.02  -0.04  -0.02     0.02   0.06  -0.04
    29   7    -0.02  -0.07   0.02     0.14   0.02   0.08    -0.12   0.06  -0.04
    30   1     0.02  -0.07  -0.01     0.18  -0.05   0.25    -0.16  -0.09  -0.18
    31   1     0.02  -0.05  -0.02     0.28  -0.08  -0.01    -0.25  -0.06   0.04
    32   1    -0.02  -0.14   0.05     0.02   0.18  -0.02     0.02  -0.15  -0.04
    33   1     0.04  -0.08   0.06    -0.06  -0.01  -0.10     0.10  -0.07  -0.03
    34   1    -0.05  -0.08  -0.06    -0.06   0.01  -0.10     0.09   0.06  -0.05
    35   1     0.01  -0.13  -0.05     0.01  -0.18  -0.02     0.03   0.14  -0.05
    36   1    -0.02  -0.08   0.01     0.18   0.04   0.25    -0.16   0.09  -0.18
    37   1    -0.03  -0.06   0.02     0.28   0.07  -0.00    -0.25   0.07   0.04
                     10                     11                     12
                      A                      A                      A
 Frequencies --    249.8713               290.3703               302.3422
 Red. masses --      4.7062                 2.0253                 2.0123
 Frc consts  --      0.1731                 0.1006                 0.1084
 IR Inten    --      0.0317                 1.6767                 1.5088
 RamAct Fr= 1--     16.8875                 0.9208                 2.1037
  Dep-P Fr= 1--      0.0771                 0.7452                 0.4945
  Dep-U Fr= 1--      0.1432                 0.8540                 0.6617
 Alpha2 Fr= 1--      0.3126                 0.0001                 0.0107
 Beta2  Fr= 1--      0.4032                 0.1311                 0.2320
 AlphaG Fr= 1--      0.1097                -0.0001                -0.0246
 Gamma2 Fr= 1--      4.4137                 0.2152                -1.4205
 Delta2 Fr= 1--      0.5667                -0.1764                -0.2551
 Raman1 Fr= 1--      67.550                  3.683                  8.415
 ROA1   Fr= 1--     441.844                 15.019               -144.535
 CID1   Fr= 1--       6.541                  4.078                -17.176
 Raman2 Fr= 1--       4.838                  1.573                  2.784
 ROA2   Fr= 1--     101.394                  6.577                -32.051
 CID2   Fr= 1--      20.958                  4.182                -11.512
 Raman3 Fr= 1--       9.676                  3.145                  5.568
 ROA3   Fr= 1--     441.844                 15.019               -144.535
 CID3   Fr= 1--      45.665                  4.775                -25.957
 RC180  Fr= 1--      -0.714                  0.708                  0.323
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.15  -0.09   0.01    -0.11   0.04   0.00    -0.10   0.04   0.01
     2   6    -0.16  -0.08   0.00    -0.04  -0.11  -0.01     0.01  -0.09  -0.00
     3   7    -0.15  -0.00  -0.01    -0.04   0.03   0.02     0.01   0.07   0.01
     4  45     0.00  -0.00   0.00     0.04  -0.00   0.00     0.00   0.04   0.00
     5   7     0.15  -0.01   0.01    -0.04  -0.04   0.03    -0.01   0.07  -0.01
     6   6     0.16  -0.09  -0.00    -0.03   0.12  -0.01    -0.02  -0.08   0.00
     7   6     0.14  -0.10  -0.01    -0.11  -0.04   0.00     0.09   0.03  -0.01
     8   7     0.09  -0.11  -0.03     0.05   0.04  -0.00    -0.03  -0.04   0.06
     9   7    -0.09  -0.11   0.03     0.04  -0.04   0.00     0.03  -0.04  -0.06
    10   7    -0.01   0.12   0.05    -0.00   0.03  -0.02     0.01  -0.04  -0.04
    11   6    -0.01   0.18  -0.02    -0.00   0.01   0.01    -0.01  -0.06  -0.02
    12   1     0.13  -0.05   0.02    -0.14  -0.24   0.10     0.12   0.17  -0.12
    13   1     0.16  -0.11  -0.01    -0.30  -0.00  -0.12     0.25  -0.01   0.09
    14   1     0.09  -0.12  -0.01     0.12   0.23  -0.13    -0.16  -0.18   0.09
    15   1     0.20  -0.12   0.00    -0.15   0.27   0.10     0.08  -0.21  -0.09
    16   1    -0.10  -0.11   0.01     0.09  -0.21  -0.12     0.16  -0.20  -0.10
    17   1    -0.20  -0.11  -0.00    -0.15  -0.24   0.09    -0.11  -0.23   0.10
    18   1    -0.14  -0.05  -0.02    -0.12   0.22   0.09    -0.13   0.20   0.13
    19   1    -0.17  -0.11   0.01    -0.27   0.01  -0.10    -0.28   0.01  -0.10
    20   1    -0.08  -0.10   0.03     0.11   0.02  -0.08     0.07   0.02  -0.23
    21   1    -0.09  -0.11   0.03     0.08  -0.12   0.01     0.10  -0.19  -0.04
    22   1    -0.13   0.00   0.03     0.02   0.05   0.14     0.10   0.10   0.12
    23   1    -0.16   0.04  -0.02    -0.10   0.13   0.01    -0.05   0.16   0.00
    24   1     0.12  -0.00  -0.03     0.03  -0.06   0.17    -0.10   0.10  -0.11
    25   1     0.16   0.04   0.02    -0.12  -0.15   0.01     0.05   0.15  -0.00
    26   1     0.08  -0.10  -0.03     0.12  -0.03  -0.10    -0.06   0.02   0.22
    27   1     0.09  -0.11  -0.03     0.10   0.13   0.01    -0.10  -0.18   0.05
    28   6     0.02   0.18   0.02    -0.00  -0.01   0.00     0.01  -0.06   0.02
    29   7     0.01   0.12  -0.05    -0.00  -0.02  -0.02    -0.01  -0.04   0.04
    30   1    -0.01   0.13   0.04    -0.01   0.06  -0.07     0.02  -0.04  -0.02
    31   1    -0.03   0.07   0.05    -0.05   0.03   0.00     0.02  -0.05  -0.05
    32   1     0.02   0.25  -0.06    -0.00  -0.01   0.01     0.01  -0.06  -0.05
    33   1    -0.06   0.13  -0.10    -0.00   0.03   0.03    -0.04  -0.05  -0.01
    34   1     0.07   0.13   0.10    -0.01  -0.02   0.02     0.04  -0.05   0.01
    35   1    -0.01   0.25   0.06     0.00   0.01  -0.00    -0.01  -0.05   0.05
    36   1     0.01   0.13  -0.05    -0.01  -0.06  -0.07    -0.02  -0.05   0.01
    37   1     0.02   0.07  -0.05    -0.04  -0.02  -0.00    -0.03  -0.05   0.05
                     13                     14                     15
                      A                      A                      A
 Frequencies --    306.5561               330.0604               331.5285
 Red. masses --      1.8432                 3.0968                 3.1757
 Frc consts  --      0.1021                 0.1988                 0.2057
 IR Inten    --      0.7089                 6.2467                 7.4720
 RamAct Fr= 1--      1.3901                 2.5127                 2.4586
  Dep-P Fr= 1--      0.1523                 0.7433                 0.7490
  Dep-U Fr= 1--      0.2644                 0.8527                 0.8565
 Alpha2 Fr= 1--      0.0214                 0.0003                 0.0000
 Beta2  Fr= 1--      0.0613                 0.3571                 0.3510
 AlphaG Fr= 1--      0.0333                -0.0014                -0.0002
 Gamma2 Fr= 1--      0.1267                -1.8283                -2.8796
 Delta2 Fr= 1--     -0.0556                -0.1712                -0.0538
 Raman1 Fr= 1--       5.560                 10.051                  9.834
 ROA1   Fr= 1--      10.381               -180.998               -278.165
 CID1   Fr= 1--       1.867                -18.008                -28.285
 Raman2 Fr= 1--       0.735                  4.285                  4.212
 ROA2   Fr= 1--       3.485                -42.511                -68.681
 CID2   Fr= 1--       4.740                 -9.920                -16.308
 Raman3 Fr= 1--       1.470                  8.571                  8.423
 ROA3   Fr= 1--      10.381               -180.998               -278.165
 CID3   Fr= 1--       7.061                -21.118                -33.024
 RC180  Fr= 1--      -0.471                  0.705                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03   0.01    -0.02  -0.06  -0.00    -0.02  -0.10   0.00
     2   6     0.02  -0.01   0.01     0.00   0.03  -0.00    -0.12   0.03   0.00
     3   7     0.01   0.01   0.04     0.02  -0.00  -0.09    -0.10  -0.06  -0.06
     4  45     0.00  -0.02  -0.00    -0.02   0.08   0.00     0.09   0.02  -0.00
     5   7    -0.01   0.01  -0.04     0.03  -0.03   0.10    -0.09   0.05  -0.00
     6   6    -0.02  -0.00  -0.01     0.06   0.03  -0.00    -0.11  -0.00   0.00
     7   6    -0.03   0.03  -0.01     0.03  -0.10   0.00    -0.01   0.06   0.00
     8   7    -0.03   0.03  -0.01     0.11  -0.04  -0.02    -0.03   0.02   0.09
     9   7     0.03   0.03   0.01    -0.08  -0.02  -0.02    -0.08  -0.03   0.10
    10   7     0.07  -0.04   0.05     0.06  -0.10  -0.01    -0.00   0.02  -0.06
    11   6    -0.04   0.06  -0.10    -0.03  -0.08  -0.06    -0.00  -0.01  -0.02
    12   1    -0.03   0.03  -0.01     0.00  -0.21   0.08     0.03   0.10  -0.11
    13   1    -0.03   0.04  -0.00    -0.09  -0.09  -0.08     0.08   0.04   0.06
    14   1    -0.03  -0.02   0.03     0.12   0.10  -0.13    -0.16  -0.05   0.05
    15   1     0.00  -0.03  -0.03    -0.02   0.14   0.07    -0.07  -0.07  -0.06
    16   1     0.03  -0.02  -0.03    -0.02   0.07   0.09    -0.20   0.11   0.11
    17   1    -0.01  -0.03   0.03     0.06   0.09  -0.04    -0.04   0.14  -0.09
    18   1     0.03   0.04   0.01    -0.02  -0.14  -0.02     0.02  -0.20  -0.14
    19   1     0.03   0.04  -0.00     0.04  -0.06   0.04     0.12  -0.08   0.10
    20   1     0.04   0.04   0.01    -0.14  -0.06  -0.05    -0.11  -0.09   0.30
    21   1     0.02   0.03   0.01    -0.06  -0.03  -0.02    -0.21   0.14   0.07
    22   1     0.02   0.00   0.10     0.01   0.01  -0.26    -0.17  -0.08  -0.18
    23   1    -0.01   0.06   0.03     0.09  -0.17  -0.07    -0.04  -0.20  -0.04
    24   1    -0.02   0.00  -0.10     0.07  -0.03   0.31    -0.15   0.08  -0.03
    25   1     0.01   0.06  -0.03    -0.07  -0.23   0.08    -0.08   0.09   0.00
    26   1    -0.04   0.04  -0.02     0.16  -0.10  -0.09    -0.02   0.05   0.28
    27   1    -0.02   0.03  -0.01     0.16   0.03  -0.02    -0.16  -0.13   0.07
    28   6     0.05   0.06   0.10     0.02  -0.08   0.06     0.01  -0.03   0.01
    29   7    -0.08  -0.04  -0.06    -0.06  -0.08   0.04    -0.04  -0.07  -0.05
    30   1     0.13  -0.04   0.24     0.10  -0.14   0.16    -0.02   0.07  -0.15
    31   1     0.23  -0.15  -0.05     0.20  -0.16  -0.09    -0.10   0.00  -0.01
    32   1     0.07   0.29  -0.23     0.03   0.02  -0.13     0.02  -0.02  -0.04
    33   1    -0.26  -0.02  -0.26    -0.15  -0.10  -0.11    -0.03   0.02   0.01
    34   1     0.26  -0.03   0.26     0.15  -0.09   0.09     0.04  -0.07   0.06
    35   1    -0.05   0.30   0.23    -0.04   0.01   0.14     0.00   0.03   0.02
    36   1    -0.13  -0.04  -0.25    -0.08  -0.08  -0.06    -0.08  -0.12  -0.21
    37   1    -0.25  -0.14   0.05    -0.13  -0.13   0.09    -0.19  -0.07   0.04
                     16                     17                     18
                      A                      A                      A
 Frequencies --    400.7955               402.0299               404.3493
 Red. masses --      4.4782                 3.7781                 4.5721
 Frc consts  --      0.4238                 0.3598                 0.4404
 IR Inten    --      1.4590                 0.4357                 1.8170
 RamAct Fr= 1--      0.8819                 4.4716                 3.8325
  Dep-P Fr= 1--      0.7492                 0.7449                 0.7500
  Dep-U Fr= 1--      0.8566                 0.8538                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0004                 0.0000
 Beta2  Fr= 1--      0.1259                 0.6363                 0.5475
 AlphaG Fr= 1--      0.0000                 0.0058                 0.0000
 Gamma2 Fr= 1--     -0.6280                 1.3254                -0.5642
 Delta2 Fr= 1--     -0.0601                 0.1169                 0.1954
 Raman1 Fr= 1--       3.528                 17.886                 15.330
 ROA1   Fr= 1--     -62.209                130.980                -47.907
 CID1   Fr= 1--     -17.634                  7.323                 -3.125
 Raman2 Fr= 1--       1.511                  7.635                  6.570
 ROA2   Fr= 1--     -14.591                 30.875                -15.103
 CID2   Fr= 1--      -9.657                  4.044                 -2.299
 Raman3 Fr= 1--       3.022                 15.271                 13.140
 ROA3   Fr= 1--     -62.209                130.980                -47.907
 CID3   Fr= 1--     -20.586                  8.577                 -3.646
 RC180  Fr= 1--       0.713                  0.708                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02  -0.04     0.08   0.04   0.07    -0.09  -0.04  -0.05
     2   6     0.05   0.03  -0.04    -0.09  -0.06   0.06     0.05   0.03  -0.05
     3   7     0.05   0.09  -0.05    -0.10  -0.15   0.09     0.06   0.09  -0.04
     4  45    -0.02  -0.00   0.10    -0.00   0.07   0.00     0.08   0.00   0.04
     5   7     0.04  -0.07  -0.04     0.09  -0.15  -0.08     0.07  -0.12  -0.06
     6   6     0.04  -0.03  -0.03     0.08  -0.07  -0.06     0.06  -0.04  -0.06
     7   6    -0.03   0.01  -0.03    -0.07   0.04  -0.06    -0.10   0.05  -0.06
     8   7    -0.08  -0.01  -0.04    -0.14   0.01  -0.06    -0.18   0.01  -0.10
     9   7    -0.09   0.01  -0.05     0.15   0.00   0.07    -0.16  -0.01  -0.09
    10   7     0.06   0.18  -0.12    -0.02  -0.00   0.00    -0.06  -0.12   0.10
    11   6     0.08   0.12  -0.04     0.01  -0.01   0.00    -0.04  -0.07   0.02
    12   1    -0.05   0.06   0.02    -0.11   0.06   0.06    -0.15   0.10   0.08
    13   1    -0.02   0.00  -0.04    -0.10   0.02  -0.11    -0.13   0.04  -0.11
    14   1     0.08  -0.03   0.03     0.13  -0.09   0.08     0.11  -0.07   0.06
    15   1     0.03  -0.03  -0.04     0.09  -0.11  -0.11     0.07  -0.07  -0.10
    16   1     0.10   0.03   0.04    -0.14  -0.09  -0.09     0.09   0.05   0.05
    17   1     0.04   0.04  -0.05    -0.10  -0.11   0.12     0.06   0.05  -0.09
    18   1    -0.06  -0.07   0.03     0.13   0.07  -0.06    -0.14  -0.08   0.07
    19   1    -0.03  -0.00  -0.05     0.11   0.02   0.12    -0.12  -0.03  -0.10
    20   1    -0.15  -0.01  -0.12     0.13   0.03  -0.14    -0.19  -0.04  -0.02
    21   1    -0.01  -0.02  -0.03     0.27  -0.14   0.09    -0.23   0.04  -0.10
    22   1     0.11   0.12  -0.14    -0.11  -0.13  -0.10     0.06   0.08   0.05
    23   1     0.05  -0.00  -0.04    -0.07  -0.33   0.11    -0.01   0.15  -0.05
    24   1     0.09  -0.11  -0.15     0.11  -0.13   0.08     0.08  -0.10   0.06
    25   1     0.04   0.03  -0.02     0.06  -0.31  -0.11    -0.00  -0.20  -0.07
    26   1    -0.14   0.02  -0.14    -0.11   0.03   0.13    -0.20   0.05  -0.00
    27   1     0.02   0.03  -0.02    -0.24  -0.12  -0.08    -0.27  -0.05  -0.11
    28   6     0.07  -0.12  -0.04     0.00  -0.03  -0.01    -0.04   0.08   0.02
    29   7     0.05  -0.18  -0.12     0.03  -0.04  -0.02    -0.05   0.12   0.10
    30   1     0.01   0.22  -0.30    -0.02  -0.06   0.02    -0.08  -0.08   0.02
    31   1    -0.11   0.19  -0.02    -0.01  -0.00  -0.00    -0.14  -0.20   0.13
    32   1     0.13   0.15  -0.10     0.01  -0.02   0.01    -0.06  -0.07   0.04
    33   1    -0.08   0.20   0.03     0.02  -0.01   0.01     0.04  -0.14  -0.05
    34   1    -0.09  -0.19   0.03    -0.03  -0.04  -0.00     0.04   0.13  -0.05
    35   1     0.12  -0.15  -0.10     0.01  -0.04  -0.02    -0.06   0.07   0.04
    36   1    -0.00  -0.21  -0.30     0.03  -0.09  -0.05    -0.07   0.08   0.02
    37   1    -0.13  -0.18  -0.02     0.01  -0.04  -0.01    -0.13   0.20   0.13
                     19                     20                     21
                      A                      A                      A
 Frequencies --    460.5852               464.1120               503.6166
 Red. masses --      3.8719                 4.1367                 4.3001
 Frc consts  --      0.4839                 0.5250                 0.6426
 IR Inten    --      6.8792                 7.8452                 0.0002
 RamAct Fr= 1--      4.9466                 5.4296                47.4146
  Dep-P Fr= 1--      0.7500                 0.7347                 0.0022
  Dep-U Fr= 1--      0.8571                 0.8471                 0.0044
 Alpha2 Fr= 1--      0.0000                 0.0014                 1.0482
 Beta2  Fr= 1--      0.7066                 0.7665                 0.0349
 AlphaG Fr= 1--     -0.0000                 0.0225                -0.4720
 Gamma2 Fr= 1--      1.2241                 1.9150                -1.0083
 Delta2 Fr= 1--     -0.0603                -0.1555                 0.1190
 Raman1 Fr= 1--      19.786                 21.718                189.658
 ROA1   Fr= 1--     115.581                178.867                -92.986
 CID1   Fr= 1--       5.841                  8.236                 -0.490
 Raman2 Fr= 1--       8.480                  9.199                  0.418
 ROA2   Fr= 1--      29.860                 47.204                -25.150
 CID2   Fr= 1--       3.521                  5.132                -60.128
 Raman3 Fr= 1--      16.960                 18.397                  0.837
 ROA3   Fr= 1--     115.581                178.867                -92.986
 CID3   Fr= 1--       6.815                  9.723               -111.155
 RC180  Fr= 1--       0.714                  0.694                 -0.991
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.04   0.01    -0.01   0.01  -0.01     0.00  -0.02   0.01
     2   6     0.02  -0.02   0.02     0.04   0.00  -0.01    -0.02   0.01  -0.00
     3   7    -0.03  -0.18   0.18     0.01  -0.03   0.07     0.02   0.14  -0.15
     4  45     0.03   0.00  -0.01    -0.00   0.03   0.00     0.00   0.00  -0.00
     5   7    -0.02   0.17   0.17    -0.01  -0.05  -0.09    -0.02   0.14   0.15
     6   6     0.01   0.02   0.02    -0.04   0.00   0.00     0.02   0.01   0.00
     7   6     0.02  -0.04   0.01     0.01   0.01   0.01    -0.00  -0.02  -0.01
     8   7    -0.10  -0.06  -0.15     0.12   0.04   0.13    -0.14  -0.05  -0.15
     9   7    -0.11   0.07  -0.16    -0.11   0.04  -0.11     0.14  -0.06   0.15
    10   7     0.01   0.02   0.01    -0.15  -0.10   0.21    -0.09  -0.08   0.15
    11   6     0.02   0.04  -0.01     0.00   0.02   0.04     0.00   0.01   0.02
    12   1    -0.01   0.08   0.07     0.04  -0.08  -0.07    -0.04   0.11   0.06
    13   1     0.05  -0.06   0.01    -0.00   0.04   0.03     0.03  -0.05  -0.02
    14   1    -0.11   0.01  -0.10     0.03   0.02   0.04    -0.11  -0.03  -0.07
    15   1     0.04   0.02   0.05    -0.04   0.01   0.00     0.06  -0.02   0.00
    16   1    -0.12   0.00  -0.10    -0.01   0.02  -0.03     0.10  -0.03   0.07
    17   1     0.05  -0.02   0.05     0.04   0.01  -0.01    -0.06  -0.02  -0.00
    18   1    -0.02  -0.09   0.07    -0.05  -0.07   0.06     0.04   0.10  -0.06
    19   1     0.05   0.06   0.00     0.00   0.03  -0.03    -0.04  -0.05   0.02
    20   1    -0.14   0.06  -0.26    -0.15   0.03  -0.16     0.15  -0.06   0.20
    21   1    -0.13  -0.06  -0.17    -0.10  -0.02  -0.11     0.12   0.02   0.14
    22   1    -0.08  -0.21   0.30     0.01  -0.04   0.11     0.03   0.15  -0.19
    23   1    -0.12  -0.09   0.17    -0.05  -0.02   0.07     0.10   0.09  -0.15
    24   1    -0.07   0.21   0.28    -0.00  -0.06  -0.15    -0.02   0.15   0.20
    25   1    -0.11   0.09   0.16     0.07  -0.03  -0.09    -0.09   0.10   0.15
    26   1    -0.13  -0.05  -0.25     0.16   0.03   0.19    -0.15  -0.05  -0.20
    27   1    -0.11   0.07  -0.15     0.12  -0.04   0.13    -0.12   0.03  -0.15
    28   6     0.02  -0.03  -0.01    -0.01   0.03  -0.04    -0.00   0.01  -0.02
    29   7     0.02  -0.03  -0.01     0.14  -0.11  -0.21     0.09  -0.09  -0.15
    30   1    -0.01   0.03  -0.08    -0.19  -0.20   0.12    -0.13  -0.10   0.03
    31   1    -0.07  -0.00   0.05    -0.22  -0.14   0.25    -0.18  -0.10   0.20
    32   1     0.05   0.09  -0.04    -0.01   0.06   0.05    -0.00   0.06   0.02
    33   1    -0.04   0.02  -0.04     0.07  -0.10  -0.11     0.03  -0.08  -0.09
    34   1    -0.05  -0.03  -0.03    -0.07  -0.09   0.11    -0.03  -0.08   0.09
    35   1     0.05  -0.08  -0.04     0.01   0.07  -0.05     0.00   0.06  -0.02
    36   1     0.00  -0.05  -0.09     0.18  -0.20  -0.11     0.13  -0.10  -0.03
    37   1    -0.05  -0.01   0.03     0.23  -0.15  -0.26     0.17  -0.11  -0.20
                     22                     23                     24
                      A                      A                      A
 Frequencies --    534.0340               543.7142               558.9321
 Red. masses --      1.6472                 1.7309                 1.8293
 Frc consts  --      0.2768                 0.3015                 0.3367
 IR Inten    --      2.3516                 2.1009                 3.5653
 RamAct Fr= 1--      0.1232                 0.3141                 0.3141
  Dep-P Fr= 1--      0.7498                 0.7496                 0.6427
  Dep-U Fr= 1--      0.8570                 0.8569                 0.7825
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0006
 Beta2  Fr= 1--      0.0176                 0.0449                 0.0410
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0056
 Gamma2 Fr= 1--     -0.2123                 0.6035                -0.7390
 Delta2 Fr= 1--     -0.0470                 0.3728                -0.1937
 Raman1 Fr= 1--       0.493                  1.256                  1.256
 ROA1   Fr= 1--     -21.885                 69.862                -77.143
 CID1   Fr= 1--     -44.400                 55.609                -61.402
 Raman2 Fr= 1--       0.211                  0.538                  0.492
 ROA2   Fr= 1--      -4.719                 11.501                -16.187
 CID2   Fr= 1--     -22.346                 21.366                -32.930
 Raman3 Fr= 1--       0.422                  1.077                  0.983
 ROA3   Fr= 1--     -21.885                 69.862                -77.143
 CID3   Fr= 1--     -51.809                 64.896                -78.469
 RC180  Fr= 1--       0.714                  0.714                  0.565
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.03  -0.06    -0.00  -0.00   0.00     0.05   0.04   0.06
     2   6     0.06   0.03  -0.06     0.00   0.00  -0.00    -0.05  -0.02   0.06
     3   7     0.03  -0.05   0.05     0.00   0.00  -0.01    -0.02   0.06  -0.07
     4  45    -0.01  -0.00  -0.00    -0.01  -0.00  -0.02    -0.00  -0.03   0.00
     5   7     0.03   0.05   0.06     0.00  -0.00  -0.01     0.02   0.05   0.07
     6   6     0.06  -0.03  -0.06     0.00  -0.00  -0.00     0.05  -0.02  -0.06
     7   6    -0.05   0.03  -0.06    -0.00   0.00  -0.00    -0.05   0.04  -0.06
     8   7     0.02   0.04   0.05     0.02   0.01   0.02     0.04   0.05   0.07
     9   7     0.02  -0.04   0.04     0.02  -0.01   0.02    -0.04   0.05  -0.07
    10   7     0.00   0.02  -0.02    -0.05  -0.00   0.10     0.00   0.01  -0.00
    11   6     0.00   0.00   0.00     0.08   0.08  -0.02    -0.00   0.00   0.00
    12   1    -0.10  -0.15   0.09     0.00  -0.04   0.00    -0.09  -0.18   0.09
    13   1    -0.23   0.05  -0.19    -0.02   0.01  -0.01    -0.25   0.07  -0.20
    14   1    -0.10  -0.16   0.09    -0.01  -0.02   0.02    -0.13  -0.16   0.10
    15   1     0.17  -0.19  -0.18     0.02  -0.02  -0.02     0.16  -0.20  -0.20
    16   1    -0.09   0.15   0.08    -0.01   0.02   0.02     0.12  -0.17  -0.10
    17   1     0.17   0.17  -0.17     0.02   0.02  -0.01    -0.18  -0.20   0.21
    18   1    -0.09   0.15   0.09     0.00   0.03  -0.00     0.09  -0.19  -0.10
    19   1    -0.22  -0.04  -0.19    -0.02  -0.01  -0.01     0.26   0.06   0.21
    20   1     0.06  -0.05   0.25     0.02  -0.01   0.05    -0.04   0.08  -0.21
    21   1    -0.06   0.15   0.03    -0.00   0.02   0.02    -0.01  -0.11  -0.06
    22   1     0.01  -0.08   0.24    -0.02  -0.02   0.09    -0.03   0.07  -0.22
    23   1    -0.09   0.11   0.03     0.01   0.11  -0.03     0.11  -0.07  -0.05
    24   1     0.02   0.09   0.25    -0.01   0.02   0.10     0.03   0.07   0.21
    25   1    -0.10  -0.11   0.04    -0.00  -0.11  -0.03    -0.11  -0.06   0.05
    26   1     0.06   0.05   0.25     0.03   0.01   0.06     0.04   0.07   0.20
    27   1    -0.07  -0.15   0.03    -0.00  -0.02   0.02     0.01  -0.11   0.06
    28   6     0.00  -0.00   0.00     0.08  -0.08  -0.02    -0.00   0.00   0.00
    29   7     0.00  -0.02  -0.02    -0.05   0.00   0.10    -0.00   0.01   0.00
    30   1     0.02  -0.03   0.07    -0.13  -0.06  -0.15    -0.01   0.03  -0.05
    31   1     0.09   0.04  -0.07    -0.26  -0.01   0.22    -0.04  -0.00   0.02
    32   1    -0.01  -0.03   0.01     0.22   0.33  -0.19    -0.00   0.00   0.00
    33   1     0.02   0.02   0.03    -0.21  -0.01  -0.21    -0.00   0.00   0.00
    34   1     0.02  -0.02   0.03    -0.21   0.02  -0.21     0.01   0.00  -0.00
    35   1    -0.00   0.03   0.01     0.21  -0.34  -0.19    -0.00   0.01   0.00
    36   1     0.03   0.03   0.07    -0.13   0.07  -0.14     0.01   0.03   0.05
    37   1     0.09  -0.05  -0.07    -0.26   0.03   0.22     0.04  -0.00  -0.02
                     25                     26                     27
                      A                      A                      A
 Frequencies --    680.5897               686.1545               714.9917
 Red. masses --      1.3007                 1.3081                 1.2854
 Frc consts  --      0.3550                 0.3629                 0.3871
 IR Inten    --      1.8806                 0.8007                 1.2751
 RamAct Fr= 1--      1.7040                 0.0557                 0.8253
  Dep-P Fr= 1--      0.0170                 0.7343                 0.5732
  Dep-U Fr= 1--      0.0335                 0.8468                 0.7287
 Alpha2 Fr= 1--      0.0364                 0.0000                 0.0027
 Beta2  Fr= 1--      0.0095                 0.0079                 0.1002
 AlphaG Fr= 1--      0.0145                -0.0000                 0.0788
 Gamma2 Fr= 1--      0.5849                 0.6048                -2.2712
 Delta2 Fr= 1--     -0.0781                -0.0449                 0.0051
 Raman1 Fr= 1--       6.816                  0.223                  3.301
 ROA1   Fr= 1--      53.654                 56.627               -217.874
 CID1   Fr= 1--       7.872                254.047                -65.999
 Raman2 Fr= 1--       0.114                  0.094                  1.203
 ROA2   Fr= 1--      14.663                 14.875                -54.551
 CID2   Fr= 1--     128.529                157.619                -45.353
 Raman3 Fr= 1--       0.228                  0.189                  2.406
 ROA3   Fr= 1--      53.654                 56.627               -217.874
 CID3   Fr= 1--     235.158                300.019                -90.570
 RC180  Fr= 1--      -0.933                  0.694                  0.457
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.01     0.01   0.00  -0.02    -0.01  -0.00   0.01
     2   6    -0.00   0.00  -0.02     0.02   0.01   0.00     0.00  -0.01  -0.01
     3   7     0.02   0.00  -0.02    -0.02   0.04   0.07     0.01  -0.03  -0.04
     4  45    -0.00  -0.01  -0.00    -0.00   0.00  -0.01     0.00   0.00   0.00
     5   7    -0.02   0.00   0.02    -0.02  -0.04   0.07    -0.01  -0.03   0.03
     6   6     0.00   0.00   0.02     0.01  -0.01   0.00    -0.00  -0.01   0.01
     7   6     0.01  -0.00   0.01     0.01  -0.00  -0.02     0.01  -0.00  -0.01
     8   7     0.03   0.02  -0.06     0.02   0.03  -0.04     0.02   0.03  -0.04
     9   7    -0.03   0.02   0.05     0.02  -0.03  -0.04    -0.02   0.03   0.04
    10   7    -0.07   0.01  -0.02    -0.01  -0.01   0.01     0.06  -0.01   0.02
    11   6    -0.01   0.01   0.00     0.01   0.01   0.01     0.01  -0.02  -0.00
    12   1     0.00  -0.06   0.05    -0.02  -0.07   0.06    -0.01  -0.05   0.03
    13   1    -0.06   0.04   0.00    -0.09   0.03  -0.06    -0.06   0.04  -0.01
    14   1     0.01   0.02  -0.03     0.06   0.03  -0.05     0.06   0.04  -0.04
    15   1    -0.03   0.03   0.04    -0.07   0.05   0.00    -0.08   0.06   0.04
    16   1    -0.01   0.02   0.03     0.06  -0.04  -0.05    -0.05   0.04   0.04
    17   1     0.02   0.03  -0.04    -0.07  -0.05   0.00     0.08   0.06  -0.04
    18   1    -0.00  -0.06  -0.04    -0.01   0.08   0.06     0.01  -0.05  -0.03
    19   1     0.06   0.03  -0.00    -0.09  -0.03  -0.06     0.07   0.04   0.01
    20   1    -0.11   0.03  -0.28     0.08  -0.04   0.24    -0.08   0.04  -0.24
    21   1     0.28  -0.16   0.11    -0.21   0.15  -0.09     0.21  -0.16   0.09
    22   1     0.00  -0.01   0.06     0.05   0.13  -0.35    -0.00  -0.07   0.22
    23   1    -0.03   0.07  -0.03    -0.01  -0.38   0.14    -0.03   0.23  -0.08
    24   1     0.00  -0.02  -0.09     0.04  -0.13  -0.35    -0.00  -0.07  -0.21
    25   1     0.03   0.09   0.03     0.01   0.39   0.14     0.04   0.22   0.08
    26   1     0.12   0.03   0.30     0.08   0.03   0.22     0.08   0.03   0.24
    27   1    -0.30  -0.15  -0.11    -0.20  -0.14  -0.08    -0.21  -0.15  -0.09
    28   6     0.01   0.01  -0.00     0.01  -0.01   0.01    -0.01  -0.02   0.00
    29   7     0.07   0.01   0.02    -0.01   0.01   0.01    -0.06  -0.00  -0.02
    30   1     0.00  -0.14   0.32    -0.01   0.00  -0.01    -0.00   0.13  -0.29
    31   1     0.25   0.09  -0.19    -0.02   0.02   0.02    -0.23  -0.05   0.18
    32   1    -0.02  -0.09   0.02     0.04   0.05  -0.03     0.03   0.09  -0.02
    33   1     0.07   0.03   0.04    -0.05  -0.01  -0.03    -0.08  -0.03  -0.04
    34   1    -0.07   0.03  -0.04    -0.05   0.01  -0.02     0.08  -0.03   0.04
    35   1     0.02  -0.10  -0.02     0.04  -0.05  -0.03    -0.02   0.09   0.02
    36   1    -0.01  -0.14  -0.32    -0.01   0.01   0.01     0.01   0.13   0.29
    37   1    -0.24   0.09   0.19    -0.00  -0.02   0.00     0.23  -0.06  -0.18
                     28                     29                     30
                      A                      A                      A
 Frequencies --    742.5321               745.3809               767.8988
 Red. masses --      1.4607                 1.3937                 1.4360
 Frc consts  --      0.4745                 0.4562                 0.4989
 IR Inten    --      9.6791                 2.4171                16.6214
 RamAct Fr= 1--      0.0880                 1.0794                 0.6943
  Dep-P Fr= 1--      0.7494                 0.5291                 0.7499
  Dep-U Fr= 1--      0.8567                 0.6921                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0046                 0.0000
 Beta2  Fr= 1--      0.0126                 0.1245                 0.0992
 AlphaG Fr= 1--      0.0000                 0.0066                -0.0000
 Gamma2 Fr= 1--     -0.5462                 2.4021                 0.8475
 Delta2 Fr= 1--     -0.0086                 0.1592                 0.0289
 Raman1 Fr= 1--       0.352                  4.318                  2.777
 ROA1   Fr= 1--     -52.710                235.697                 82.286
 CID1   Fr= 1--    -149.722                 54.591                 29.630
 Raman2 Fr= 1--       0.151                  1.494                  1.190
 ROA2   Fr= 1--     -13.040                 56.378                 20.109
 CID2   Fr= 1--     -86.470                 37.735                 16.897
 Raman3 Fr= 1--       0.302                  2.988                  2.380
 ROA3   Fr= 1--     -52.710                235.697                 82.286
 CID3   Fr= 1--    -174.759                 78.880                 34.571
 RC180  Fr= 1--       0.713                  0.384                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.02   0.01     0.01   0.01   0.03    -0.02  -0.02  -0.02
     2   6    -0.03   0.01   0.02    -0.03  -0.01   0.02     0.01  -0.01  -0.02
     3   7     0.01  -0.01  -0.03     0.00  -0.06  -0.07    -0.00   0.02   0.04
     4  45     0.01  -0.00   0.02     0.00   0.01   0.00     0.02  -0.00  -0.01
     5   7     0.01   0.01  -0.04    -0.00  -0.06   0.07    -0.00  -0.02   0.04
     6   6    -0.03  -0.01   0.02     0.02  -0.01  -0.02     0.01   0.01  -0.02
     7   6     0.00  -0.02   0.01    -0.01   0.01  -0.03    -0.02   0.02  -0.02
     8   7     0.01   0.02  -0.05    -0.03  -0.01   0.04    -0.04  -0.03   0.06
     9   7     0.00  -0.02  -0.05     0.03  -0.01  -0.04    -0.04   0.03   0.06
    10   7    -0.08   0.03  -0.01    -0.03   0.00  -0.01    -0.06  -0.00  -0.01
    11   6     0.04   0.02  -0.01    -0.01  -0.00  -0.00     0.03   0.02   0.02
    12   1     0.02   0.04  -0.06    -0.03  -0.01   0.05    -0.03   0.03   0.01
    13   1     0.06   0.01   0.12    -0.05  -0.01  -0.12    -0.00  -0.03  -0.09
    14   1     0.04   0.05  -0.07     0.05  -0.01   0.01    -0.01  -0.03   0.06
    15   1    -0.05   0.07   0.12    -0.04  -0.01  -0.10     0.02  -0.05  -0.12
    16   1     0.04  -0.05  -0.07    -0.05  -0.00  -0.01    -0.01   0.03   0.06
    17   1    -0.05  -0.07   0.11     0.03  -0.01   0.10     0.02   0.05  -0.12
    18   1     0.02  -0.04  -0.06     0.03  -0.02  -0.05    -0.03  -0.03   0.01
    19   1     0.05  -0.01   0.11     0.05  -0.01   0.12     0.00   0.03  -0.10
    20   1     0.09  -0.00   0.17     0.09  -0.00   0.17    -0.12   0.04  -0.28
    21   1    -0.17   0.09  -0.08    -0.21   0.08  -0.08     0.29  -0.16   0.12
    22   1    -0.05  -0.05   0.10    -0.04  -0.13   0.34     0.04   0.07  -0.15
    23   1     0.03   0.12  -0.05     0.03   0.41  -0.15    -0.03  -0.18   0.08
    24   1    -0.05   0.06   0.11     0.04  -0.13  -0.34     0.04  -0.07  -0.14
    25   1     0.02  -0.14  -0.06    -0.01   0.40   0.15    -0.02   0.18   0.07
    26   1     0.09  -0.00   0.17    -0.09  -0.00  -0.17    -0.12  -0.04  -0.28
    27   1    -0.18  -0.08  -0.09     0.21   0.08   0.08     0.29   0.15   0.12
    28   6     0.04  -0.02  -0.01     0.01  -0.01   0.00     0.02  -0.02   0.02
    29   7    -0.08  -0.03  -0.01     0.03  -0.00   0.00    -0.06   0.01  -0.01
    30   1    -0.02  -0.22   0.35     0.00  -0.05   0.13    -0.02  -0.15   0.23
    31   1     0.26   0.11  -0.20     0.09   0.02  -0.08     0.18   0.10  -0.14
    32   1     0.11   0.00  -0.09    -0.01  -0.05   0.00     0.12   0.05  -0.09
    33   1    -0.03   0.04   0.00     0.02   0.01   0.02    -0.08   0.00  -0.02
    34   1    -0.03  -0.04   0.00    -0.03   0.01  -0.02    -0.08  -0.00  -0.02
    35   1     0.11  -0.01  -0.09     0.01  -0.05  -0.01     0.12  -0.06  -0.09
    36   1    -0.01   0.22   0.35    -0.00  -0.04  -0.12    -0.01   0.15   0.23
    37   1     0.25  -0.12  -0.20    -0.08   0.01   0.07     0.18  -0.11  -0.14
                     31                     32                     33
                      A                      A                      A
 Frequencies --    866.2363               866.3049               867.6155
 Red. masses --      3.2179                 3.1894                 3.1366
 Frc consts  --      1.4226                 1.4103                 1.3911
 IR Inten    --     10.3393                10.1638                 0.0085
 RamAct Fr= 1--      0.9371                 0.7823                 8.4881
  Dep-P Fr= 1--      0.7414                 0.7436                 0.0644
  Dep-U Fr= 1--      0.8515                 0.8529                 0.1209
 Alpha2 Fr= 1--      0.0001                 0.0001                 0.1620
 Beta2  Fr= 1--      0.1330                 0.1112                 0.1711
 AlphaG Fr= 1--     -0.0003                 0.0008                -0.0177
 Gamma2 Fr= 1--      0.7026                 0.9353                -2.5525
 Delta2 Fr= 1--      0.7398                 0.8905                -2.2659
 Raman1 Fr= 1--       3.748                  3.129                 33.952
 ROA1   Fr= 1--      91.121                118.282               -317.546
 CID1   Fr= 1--      24.309                 37.798                 -9.353
 Raman2 Fr= 1--       1.596                  1.335                  2.053
 ROA2   Fr= 1--      10.944                 15.322                -43.132
 CID2   Fr= 1--       6.857                 11.481                -21.009
 Raman3 Fr= 1--       3.192                  2.669                  4.106
 ROA3   Fr= 1--      91.121                118.282               -317.546
 CID3   Fr= 1--      28.548                 44.314                -77.335
 RC180  Fr= 1--       0.703                  0.706                 -0.758
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.08   0.08     0.08   0.07   0.09     0.10   0.05   0.10
     2   6     0.09   0.05  -0.09     0.10   0.05  -0.09     0.12   0.03  -0.08
     3   7    -0.08  -0.01  -0.03    -0.08  -0.01  -0.04    -0.12   0.00  -0.05
     4  45     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   7    -0.12   0.01  -0.05     0.03  -0.00   0.02     0.13  -0.00   0.05
     6   6     0.14  -0.07  -0.13    -0.03   0.02   0.03    -0.12   0.02   0.06
     7   6     0.11  -0.11   0.12    -0.03   0.02  -0.03    -0.10   0.04  -0.10
     8   7    -0.07   0.13   0.06     0.01  -0.03  -0.01     0.04  -0.04  -0.02
     9   7    -0.06  -0.09   0.05    -0.05  -0.09   0.04    -0.05  -0.06   0.03
    10   7    -0.00   0.01   0.00     0.03  -0.12  -0.08    -0.02   0.08   0.04
    11   6    -0.04  -0.04   0.03     0.13   0.15  -0.01    -0.09  -0.10   0.02
    12   1     0.03  -0.06   0.34    -0.01   0.02  -0.09    -0.01   0.10  -0.38
    13   1    -0.03  -0.05   0.08     0.01   0.01  -0.02     0.10   0.01   0.04
    14   1     0.10   0.01  -0.42    -0.02   0.00   0.09    -0.04   0.02   0.17
    15   1     0.01   0.08  -0.03    -0.00  -0.02   0.01    -0.04  -0.01   0.10
    16   1     0.07  -0.01  -0.30     0.07  -0.01  -0.30     0.06   0.01  -0.23
    17   1    -0.00  -0.06  -0.02     0.00  -0.06  -0.02     0.03  -0.03  -0.08
    18   1     0.03   0.04   0.22     0.03   0.04   0.24     0.02   0.09   0.36
    19   1    -0.01   0.04   0.06    -0.02   0.03   0.06    -0.08   0.02  -0.01
    20   1    -0.05  -0.07  -0.02    -0.04  -0.07   0.00    -0.07  -0.06  -0.01
    21   1    -0.08  -0.18   0.05    -0.10  -0.17   0.03    -0.11  -0.15   0.02
    22   1    -0.08  -0.01   0.01    -0.09  -0.02   0.03    -0.10   0.01  -0.03
    23   1    -0.18  -0.01  -0.03    -0.19   0.02  -0.04    -0.20  -0.01  -0.04
    24   1    -0.12   0.02   0.02     0.03  -0.01  -0.02     0.09   0.01   0.03
    25   1    -0.26   0.01  -0.05     0.06   0.02   0.02     0.19  -0.01   0.05
    26   1    -0.06   0.10  -0.02     0.01  -0.02  -0.01     0.06  -0.06   0.01
    27   1    -0.12   0.26   0.06     0.04  -0.05  -0.00     0.11  -0.13  -0.01
    28   6     0.03  -0.04   0.02    -0.12   0.16   0.03     0.08  -0.10  -0.01
    29   7     0.01   0.05  -0.04    -0.03  -0.11   0.07     0.03   0.08  -0.05
    30   1     0.01   0.06   0.02    -0.00  -0.25  -0.14     0.01   0.17   0.11
    31   1     0.01   0.03  -0.00    -0.02  -0.11  -0.06     0.03   0.05   0.01
    32   1     0.02   0.04  -0.03     0.08  -0.02   0.04    -0.05  -0.00  -0.03
    33   1    -0.17  -0.02   0.02     0.37   0.07  -0.08    -0.25  -0.04   0.06
    34   1     0.04  -0.02  -0.02    -0.41   0.09   0.08     0.22  -0.04  -0.06
    35   1     0.05  -0.03  -0.01    -0.06  -0.04  -0.05     0.06  -0.02   0.02
    36   1     0.01   0.07  -0.05    -0.00  -0.25   0.13     0.00   0.16  -0.13
    37   1     0.01   0.03  -0.03     0.02  -0.11   0.04    -0.03   0.05  -0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --    868.9118               872.6305               874.0421
 Red. masses --      2.5441                 2.4747                 2.5530
 Frc consts  --      1.1317                 1.1103                 1.1491
 IR Inten    --      2.0569                 0.0609                 3.0438
 RamAct Fr= 1--      2.0352                 3.0658                 0.5141
  Dep-P Fr= 1--      0.7292                 0.6301                 0.7471
  Dep-U Fr= 1--      0.8434                 0.7731                 0.8552
 Alpha2 Fr= 1--      0.0007                 0.0067                 0.0000
 Beta2  Fr= 1--      0.2861                 0.3950                 0.0733
 AlphaG Fr= 1--     -0.0000                 0.0035                 0.0000
 Gamma2 Fr= 1--      0.4589                -1.2086                 0.7295
 Delta2 Fr= 1--     -0.3015                -0.7436                 0.1402
 Raman1 Fr= 1--       8.141                 12.263                  2.056
 ROA1   Fr= 1--      34.404               -139.823                 74.522
 CID1   Fr= 1--       4.226                -11.402                 36.237
 Raman2 Fr= 1--       3.433                  4.740                  0.879
 ROA2   Fr= 1--      13.424                -23.059                 16.388
 CID2   Fr= 1--       3.911                 -4.864                 18.635
 Raman3 Fr= 1--       6.866                  9.481                  1.759
 ROA3   Fr= 1--      34.404               -139.823                 74.522
 CID3   Fr= 1--       5.011                -14.748                 42.372
 RC180  Fr= 1--       0.687                  0.546                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.06  -0.07     0.03  -0.10   0.04     0.02  -0.06   0.03
     2   6    -0.07   0.06  -0.03     0.04  -0.09   0.07     0.02  -0.05   0.04
     3   7     0.12  -0.02   0.05    -0.10   0.02  -0.04    -0.06   0.00  -0.05
     4  45    -0.01  -0.00  -0.00     0.00  -0.01  -0.00    -0.00  -0.00   0.01
     5   7     0.12   0.01   0.05     0.09   0.02   0.05    -0.04   0.00  -0.04
     6   6    -0.06  -0.07  -0.04    -0.04  -0.09  -0.07     0.02   0.04   0.03
     7   6    -0.05  -0.07  -0.06    -0.03  -0.10  -0.04     0.01   0.04   0.03
     8   7    -0.03   0.09   0.05    -0.04   0.13   0.05     0.03  -0.04  -0.04
     9   7    -0.03  -0.07   0.04     0.05   0.12  -0.05     0.04   0.07  -0.05
    10   7     0.03  -0.08  -0.06    -0.01  -0.00  -0.00     0.02  -0.11  -0.11
    11   6    -0.01   0.01   0.08     0.02   0.03  -0.02    -0.02   0.01   0.14
    12   1     0.03   0.12  -0.33     0.03   0.09  -0.25    -0.01  -0.04   0.11
    13   1     0.17  -0.05   0.19     0.14  -0.03   0.22    -0.06   0.03  -0.05
    14   1     0.07   0.06  -0.25     0.12   0.08  -0.38    -0.05  -0.03   0.14
    15   1    -0.09   0.11   0.19    -0.12   0.15   0.21     0.07  -0.05  -0.05
    16   1     0.05  -0.05  -0.18    -0.11   0.08   0.37    -0.07   0.04   0.21
    17   1    -0.09  -0.09   0.18     0.13   0.14  -0.22     0.09   0.08  -0.09
    18   1     0.02  -0.12  -0.34    -0.03   0.09   0.26    -0.01   0.06   0.16
    19   1     0.16   0.04   0.17    -0.14  -0.02  -0.23    -0.09  -0.03  -0.09
    20   1     0.04  -0.01   0.02    -0.03   0.08  -0.09    -0.00   0.03   0.02
    21   1     0.07  -0.03   0.06     0.01   0.07  -0.05    -0.06   0.09  -0.07
    22   1     0.04  -0.05   0.06     0.01   0.07  -0.07    -0.00   0.01   0.03
    23   1     0.08  -0.04   0.06    -0.01   0.04  -0.05    -0.03   0.11  -0.07
    24   1     0.04   0.06   0.06    -0.01   0.07   0.06    -0.00  -0.00   0.04
    25   1     0.06   0.05   0.06     0.01   0.06   0.06    -0.03  -0.09  -0.06
    26   1     0.04   0.03   0.03     0.03   0.08   0.08     0.00  -0.01   0.03
    27   1     0.06   0.06   0.07     0.00   0.08   0.06    -0.07  -0.07  -0.06
    28   6    -0.02   0.01   0.08    -0.01   0.03  -0.01    -0.02  -0.01   0.14
    29   7     0.04   0.07  -0.05    -0.00  -0.03   0.03     0.03   0.11  -0.11
    30   1     0.03   0.03  -0.14    -0.00  -0.04   0.02     0.04  -0.02  -0.10
    31   1    -0.02   0.00  -0.02     0.01  -0.03  -0.02     0.04   0.00  -0.11
    32   1     0.11   0.13  -0.06    -0.02  -0.06   0.03     0.24   0.19  -0.15
    33   1    -0.22  -0.04  -0.01     0.13   0.03  -0.00    -0.41  -0.03   0.01
    34   1    -0.24   0.05  -0.01    -0.03   0.02   0.00    -0.42   0.05   0.01
    35   1     0.10  -0.13  -0.07    -0.03  -0.01   0.01     0.23  -0.21  -0.16
    36   1     0.03  -0.05  -0.13    -0.01  -0.04   0.01     0.04   0.01  -0.10
    37   1    -0.02  -0.01  -0.01    -0.02  -0.03   0.04     0.04  -0.01  -0.11
                     37                     38                     39
                      A                      A                      A
 Frequencies --    981.7040               983.0581               983.4969
 Red. masses --      2.1966                 2.2119                 2.2060
 Frc consts  --      1.2473                 1.2594                 1.2572
 IR Inten    --      6.4901                 1.4707                 1.9450
 RamAct Fr= 1--      1.2791                 2.8532                 4.8231
  Dep-P Fr= 1--      0.7500                 0.7499                 0.7477
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8556
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0002
 Beta2  Fr= 1--      0.1827                 0.4076                 0.6878
 AlphaG Fr= 1--      0.0000                -0.0000                 0.0014
 Gamma2 Fr= 1--      0.3489                -0.0885                 0.2599
 Delta2 Fr= 1--     -0.5886                 0.0384                 1.0692
 Raman1 Fr= 1--       5.117                 11.413                 19.292
 ROA1   Fr= 1--      14.657                 -7.262                 59.167
 CID1   Fr= 1--       2.865                 -0.636                  3.067
 Raman2 Fr= 1--       2.193                  4.891                  8.253
 ROA2   Fr= 1--      13.082                 -2.430                 -2.315
 CID2   Fr= 1--       5.966                 -0.497                 -0.281
 Raman3 Fr= 1--       4.386                  9.782                 16.507
 ROA3   Fr= 1--      14.657                 -7.262                 59.167
 CID3   Fr= 1--       3.342                 -0.742                  3.584
 RC180  Fr= 1--       0.714                  0.714                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.04  -0.00    -0.11  -0.07  -0.00     0.12   0.08   0.01
     2   6     0.06   0.03   0.00     0.12   0.06  -0.00    -0.13  -0.07  -0.01
     3   7    -0.03  -0.01  -0.00    -0.06  -0.02  -0.00     0.07   0.02   0.01
     4  45     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.03   0.01  -0.00    -0.06   0.02  -0.00    -0.07   0.02  -0.01
     6   6     0.06  -0.03   0.00     0.11  -0.06  -0.00     0.13  -0.08   0.01
     7   6    -0.06   0.04  -0.00    -0.11   0.07   0.00    -0.12   0.08  -0.01
     8   7     0.02  -0.02   0.00     0.04  -0.04  -0.00     0.05  -0.05  -0.00
     9   7     0.02   0.02   0.00     0.04   0.04  -0.00    -0.05  -0.05   0.00
    10   7    -0.00  -0.08  -0.02     0.00   0.04   0.01    -0.00  -0.00   0.00
    11   6     0.01   0.18   0.00    -0.00  -0.10  -0.00    -0.01   0.01  -0.01
    12   1    -0.04   0.14  -0.05    -0.09   0.27  -0.09    -0.10   0.28  -0.09
    13   1     0.06   0.02   0.08     0.12   0.04   0.17     0.10   0.07   0.18
    14   1     0.14   0.02  -0.04     0.26   0.03  -0.08     0.33   0.05  -0.10
    15   1    -0.00   0.06   0.08     0.00   0.12   0.16    -0.02   0.15   0.19
    16   1     0.15  -0.03  -0.04     0.27  -0.05  -0.09    -0.32   0.06   0.10
    17   1    -0.01  -0.06   0.08    -0.01  -0.12   0.16     0.03   0.14  -0.19
    18   1    -0.05  -0.14  -0.05    -0.10  -0.27  -0.09     0.11   0.27   0.08
    19   1     0.06  -0.02   0.08     0.11  -0.05   0.17    -0.09   0.07  -0.17
    20   1     0.06   0.05   0.01     0.11   0.08   0.03    -0.09  -0.07  -0.04
    21   1     0.07   0.06   0.01     0.14   0.11   0.01    -0.16  -0.15  -0.01
    22   1    -0.07  -0.02   0.00    -0.11  -0.04   0.03     0.16   0.06  -0.04
    23   1    -0.09  -0.04   0.01    -0.17  -0.05   0.01     0.16   0.04  -0.00
    24   1    -0.06   0.02   0.00    -0.10   0.04   0.02    -0.16   0.07   0.04
    25   1    -0.08   0.04   0.01    -0.17   0.06   0.01    -0.17   0.05   0.00
    26   1     0.05  -0.05   0.01     0.10  -0.09   0.02     0.09  -0.08   0.04
    27   1     0.06  -0.06   0.01     0.13  -0.11   0.01     0.15  -0.16   0.01
    28   6    -0.00  -0.18   0.00    -0.00   0.09  -0.00     0.01   0.00   0.01
    29   7    -0.00   0.08  -0.02     0.00  -0.04   0.01     0.00  -0.00  -0.00
    30   1    -0.04  -0.26  -0.05     0.02   0.13   0.01     0.01   0.04   0.01
    31   1    -0.05  -0.15  -0.01     0.02   0.10   0.01    -0.00  -0.06  -0.00
    32   1    -0.18  -0.09   0.22     0.09   0.05  -0.11    -0.02  -0.06   0.00
    33   1     0.21   0.29   0.19    -0.10  -0.16  -0.11     0.04   0.02   0.02
    34   1     0.19  -0.30   0.19    -0.09   0.16  -0.11    -0.04   0.02  -0.02
    35   1    -0.18   0.09   0.22     0.08  -0.04  -0.11     0.02  -0.06  -0.00
    36   1    -0.03   0.26  -0.05     0.01  -0.14   0.01    -0.01   0.04  -0.01
    37   1    -0.04   0.15  -0.01     0.02  -0.09   0.01    -0.00  -0.06   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    998.5077              1000.8016              1008.6616
 Red. masses --      1.2447                 1.2587                 1.2682
 Frc consts  --      0.7312                 0.7428                 0.7602
 IR Inten    --     11.0218                 1.4117                 9.7873
 RamAct Fr= 1--      0.2333                 0.7770                 0.5095
  Dep-P Fr= 1--      0.7457                 0.0340                 0.3639
  Dep-U Fr= 1--      0.8543                 0.0657                 0.5336
 Alpha2 Fr= 1--      0.0000                 0.0159                 0.0043
 Beta2  Fr= 1--      0.0332                 0.0085                 0.0453
 AlphaG Fr= 1--     -0.0000                -0.0123                -0.0882
 Gamma2 Fr= 1--      0.9731                 0.4345                -0.7755
 Delta2 Fr= 1--      0.1834                -0.0095                 0.1834
 Raman1 Fr= 1--       0.933                  3.108                  2.038
 ROA1   Fr= 1--      99.292                 41.414                -68.582
 CID1   Fr= 1--     106.408                 13.324                -33.650
 Raman2 Fr= 1--       0.399                  0.102                  0.544
 ROA2   Fr= 1--      21.888                 10.505                -20.080
 CID2   Fr= 1--      54.912                102.857                -36.927
 Raman3 Fr= 1--       0.797                  0.204                  1.088
 ROA3   Fr= 1--      99.292                 41.414                -68.582
 CID3   Fr= 1--     124.550                202.750                -63.058
 RC180  Fr= 1--       0.709                 -0.869                  0.067
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.05   0.03     0.04  -0.02  -0.01    -0.04   0.04   0.03
     2   6     0.01  -0.06  -0.03    -0.02   0.02   0.02     0.01  -0.05  -0.03
     3   7    -0.01   0.01  -0.00     0.01  -0.01  -0.01    -0.01   0.01   0.00
     4  45    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   7    -0.01  -0.01  -0.00    -0.00  -0.01   0.01     0.01   0.01  -0.00
     6   6     0.01   0.06  -0.03     0.02   0.02  -0.02    -0.02  -0.05   0.03
     7   6    -0.05  -0.05   0.03    -0.04  -0.01   0.01     0.04   0.04  -0.03
     8   7     0.01   0.02  -0.00     0.01   0.00   0.01    -0.01  -0.02   0.00
     9   7     0.01  -0.01  -0.00    -0.01   0.00  -0.01     0.00  -0.02  -0.00
    10   7    -0.00   0.00   0.00    -0.01   0.00  -0.02    -0.01  -0.00  -0.01
    11   6     0.00   0.00  -0.00     0.07  -0.02   0.05     0.03  -0.01   0.04
    12   1     0.00   0.16  -0.13    -0.01   0.11  -0.09     0.00  -0.15   0.10
    13   1     0.21  -0.15   0.10     0.11  -0.07   0.06    -0.17   0.13  -0.09
    14   1    -0.17  -0.08   0.13    -0.04  -0.03   0.04     0.14   0.06  -0.10
    15   1     0.24  -0.13  -0.09     0.10  -0.04  -0.02    -0.19   0.10   0.08
    16   1    -0.16   0.08   0.12     0.04  -0.03  -0.05    -0.13   0.07   0.10
    17   1     0.23   0.11  -0.08    -0.12  -0.04   0.03     0.20   0.09  -0.08
    18   1    -0.00  -0.16  -0.12     0.01   0.12   0.10    -0.01  -0.16  -0.11
    19   1     0.20   0.13   0.10    -0.13  -0.07  -0.07     0.18   0.12   0.09
    20   1     0.23   0.14   0.03    -0.13  -0.08  -0.01     0.22   0.13   0.04
    21   1    -0.14  -0.12  -0.03     0.07   0.08   0.01    -0.12  -0.11  -0.02
    22   1     0.26   0.13  -0.02    -0.12  -0.06   0.01     0.21   0.11  -0.03
    23   1    -0.20  -0.03   0.01     0.13   0.05  -0.02    -0.17  -0.06   0.02
    24   1     0.26  -0.14  -0.02     0.10  -0.06  -0.01    -0.21   0.12   0.03
    25   1    -0.20   0.05   0.02    -0.11   0.05   0.02     0.16  -0.07  -0.02
    26   1     0.24  -0.16   0.03     0.11  -0.08   0.01    -0.21   0.14  -0.04
    27   1    -0.14   0.14  -0.03    -0.05   0.07  -0.01     0.12  -0.11   0.02
    28   6    -0.00  -0.00  -0.00    -0.07  -0.02  -0.05    -0.03  -0.01  -0.04
    29   7    -0.00  -0.00   0.00     0.01   0.00   0.02     0.01  -0.00   0.01
    30   1    -0.00  -0.01  -0.00    -0.05  -0.24  -0.04    -0.03  -0.13  -0.01
    31   1    -0.01   0.01   0.01     0.04   0.35   0.00     0.04   0.20  -0.01
    32   1    -0.00   0.00   0.00     0.12   0.30  -0.02     0.07   0.19  -0.00
    33   1    -0.00  -0.00  -0.01    -0.20  -0.11  -0.11    -0.14  -0.06  -0.06
    34   1     0.01  -0.01   0.00     0.20  -0.12   0.12     0.13  -0.07   0.06
    35   1    -0.01   0.02   0.01    -0.11   0.30   0.03    -0.06   0.20   0.00
    36   1    -0.00  -0.01   0.00     0.04  -0.24   0.04     0.02  -0.14   0.01
    37   1    -0.01   0.01   0.01    -0.02   0.35  -0.00    -0.03   0.20   0.01
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1048.2131              1048.8355              1050.3416
 Red. masses --      3.1942                 3.1878                 3.1363
 Frc consts  --      2.0678                 2.0661                 2.0386
 IR Inten    --     67.9328                59.4079                 9.0356
 RamAct Fr= 1--      0.4912                 1.1497                 1.1763
  Dep-P Fr= 1--      0.7470                 0.6525                 0.2636
  Dep-U Fr= 1--      0.8552                 0.7897                 0.4172
 Alpha2 Fr= 1--      0.0000                 0.0020                 0.0134
 Beta2  Fr= 1--      0.0700                 0.1513                 0.0818
 AlphaG Fr= 1--     -0.0002                 0.0176                -0.0506
 Gamma2 Fr= 1--      1.7601                -1.4189                 1.3286
 Delta2 Fr= 1--      0.8076                -0.9978                 0.8118
 Raman1 Fr= 1--       1.965                  4.599                  4.705
 ROA1   Fr= 1--     194.816               -168.148                153.524
 CID1   Fr= 1--      99.148                -36.562                 32.629
 Raman2 Fr= 1--       0.840                  1.816                  0.981
 ROA2   Fr= 1--      35.782                -26.072                 25.392
 CID2   Fr= 1--      42.589                -14.357                 25.872
 Raman3 Fr= 1--       1.680                  3.632                  1.963
 ROA3   Fr= 1--     194.816               -168.148                153.524
 CID3   Fr= 1--     115.940                -46.296                 78.215
 RC180  Fr= 1--       0.710                  0.579                 -0.166
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.10  -0.14    -0.01  -0.03   0.05     0.03   0.11  -0.15
     2   6     0.09  -0.03   0.15    -0.02   0.01  -0.05     0.10  -0.04   0.16
     3   7    -0.10  -0.01  -0.01     0.03   0.00   0.01    -0.11  -0.00  -0.01
     4  45     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     5   7    -0.12   0.01  -0.01    -0.02   0.00  -0.01     0.10  -0.01   0.01
     6   6     0.11   0.03   0.17     0.02   0.00   0.04    -0.09  -0.03  -0.14
     7   6     0.03  -0.11  -0.16     0.01  -0.02  -0.04    -0.02   0.10   0.14
     8   7    -0.06   0.10   0.01    -0.01   0.02   0.00     0.05  -0.08  -0.01
     9   7    -0.06  -0.08   0.01     0.02   0.03  -0.00    -0.06  -0.09   0.01
    10   7    -0.00   0.00   0.00     0.01   0.13   0.07     0.00   0.03   0.02
    11   6     0.00  -0.00  -0.00     0.16  -0.10  -0.17     0.04  -0.03  -0.05
    12   1     0.08  -0.11  -0.32     0.02  -0.05  -0.06    -0.07   0.11   0.29
    13   1     0.09  -0.17  -0.20    -0.00  -0.02  -0.05    -0.07   0.14   0.16
    14   1     0.14  -0.01   0.33     0.03   0.00   0.05    -0.11   0.01  -0.29
    15   1     0.17   0.00   0.20     0.03   0.01   0.05    -0.16   0.00  -0.17
    16   1     0.12   0.01   0.29    -0.04   0.00  -0.08     0.12   0.01   0.33
    17   1     0.15  -0.01   0.17    -0.04   0.01  -0.07     0.18  -0.00   0.20
    18   1     0.07   0.09  -0.28    -0.03  -0.05   0.08     0.09   0.12  -0.33
    19   1     0.08   0.14  -0.18    -0.00  -0.03   0.06     0.09   0.15  -0.18
    20   1    -0.01  -0.05   0.04     0.03   0.03  -0.01    -0.01  -0.07   0.03
    21   1     0.12   0.03   0.04    -0.06  -0.02  -0.02     0.11   0.03   0.04
    22   1    -0.06   0.02  -0.04     0.03   0.00   0.00    -0.04   0.03  -0.04
    23   1     0.11   0.09  -0.04    -0.03  -0.04   0.02     0.08   0.08  -0.04
    24   1    -0.07  -0.02  -0.04    -0.02   0.01  -0.00     0.03   0.03   0.03
    25   1     0.12  -0.11  -0.05     0.02  -0.03  -0.01    -0.06   0.07   0.03
    26   1    -0.00   0.06   0.04    -0.03   0.03   0.01     0.01  -0.06  -0.03
    27   1     0.14  -0.04   0.05     0.05  -0.02   0.01    -0.10   0.03  -0.04
    28   6    -0.00  -0.00   0.00    -0.16  -0.10   0.17    -0.04  -0.03   0.05
    29   7    -0.00   0.00  -0.00    -0.01   0.13  -0.07     0.00   0.03  -0.02
    30   1    -0.00  -0.01   0.00    -0.04  -0.18   0.06    -0.01  -0.03   0.02
    31   1     0.00   0.00  -0.00    -0.02   0.05   0.08    -0.00   0.02   0.02
    32   1     0.01  -0.01  -0.01     0.19  -0.20  -0.20     0.05  -0.06  -0.06
    33   1     0.01  -0.01  -0.01     0.37  -0.17  -0.21     0.11  -0.05  -0.06
    34   1    -0.01  -0.00   0.00    -0.38  -0.15   0.21    -0.11  -0.04   0.06
    35   1    -0.00  -0.00   0.00    -0.20  -0.20   0.20    -0.06  -0.06   0.06
    36   1    -0.00  -0.00  -0.00     0.03  -0.18  -0.06     0.01  -0.03  -0.02
    37   1     0.00  -0.00  -0.01     0.02   0.05  -0.08     0.00   0.02  -0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1111.6532              1118.8637              1119.3578
 Red. masses --      1.0209                 1.0281                 1.0262
 Frc consts  --      0.7433                 0.7583                 0.7576
 IR Inten    --      0.4538                 0.5040                 0.1639
 RamAct Fr= 1--      0.3888                 0.5120                 0.7528
  Dep-P Fr= 1--      0.7499                 0.7450                 0.7379
  Dep-U Fr= 1--      0.8571                 0.8539                 0.8492
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0002
 Beta2  Fr= 1--      0.0555                 0.0729                 0.1065
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0002
 Gamma2 Fr= 1--     -0.1677                 0.2540                -0.5721
 Delta2 Fr= 1--     -0.0481                 0.0014                -0.2883
 Raman1 Fr= 1--       1.555                  2.048                  3.011
 ROA1   Fr= 1--     -17.639                 24.433                -64.146
 CID1   Fr= 1--     -11.343                 11.930                -21.302
 Raman2 Fr= 1--       0.666                  0.874                  1.279
 ROA2   Fr= 1--      -3.641                  6.086                -11.423
 CID2   Fr= 1--      -5.463                  6.960                 -8.935
 Raman3 Fr= 1--       1.333                  1.749                  2.557
 ROA3   Fr= 1--     -17.639                 24.433                -64.146
 CID3   Fr= 1--     -13.235                 13.972                -25.085
 RC180  Fr= 1--       0.714                  0.708                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.00   0.01     0.00   0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.01  -0.01   0.00    -0.00  -0.00   0.00
     3   7    -0.01  -0.00  -0.01     0.00   0.01  -0.01    -0.01  -0.00  -0.01
     4  45     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   7    -0.01   0.00  -0.01     0.01  -0.00   0.00     0.01   0.00   0.01
     6   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.01  -0.01  -0.00
     7   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.01
     8   7     0.00  -0.01  -0.01    -0.01   0.01   0.00    -0.00   0.01   0.01
     9   7     0.00   0.01  -0.01    -0.01  -0.00  -0.01     0.01   0.01  -0.01
    10   7     0.00  -0.01  -0.00     0.01  -0.01  -0.01    -0.00   0.00   0.00
    11   6    -0.00  -0.00  -0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
    12   1     0.04  -0.10  -0.07    -0.04   0.11   0.10    -0.03   0.07   0.05
    13   1    -0.08   0.15   0.17     0.08  -0.16  -0.18     0.08  -0.13  -0.14
    14   1    -0.10  -0.01  -0.09     0.10   0.01   0.10     0.09   0.01   0.06
    15   1     0.17  -0.00   0.18    -0.17  -0.00  -0.18    -0.15   0.01  -0.14
    16   1    -0.10   0.02  -0.08     0.01  -0.00   0.02    -0.14   0.02  -0.12
    17   1     0.16  -0.00   0.17    -0.02   0.01  -0.03     0.22  -0.00   0.24
    18   1     0.04   0.10  -0.07    -0.01  -0.03   0.04     0.05   0.13  -0.11
    19   1    -0.09  -0.14   0.16     0.01   0.03  -0.03    -0.13  -0.20   0.23
    20   1    -0.22  -0.16  -0.00     0.05   0.03   0.02    -0.31  -0.21  -0.01
    21   1     0.09   0.14   0.01     0.02   0.01  -0.00     0.11   0.17   0.00
    22   1     0.25   0.10   0.01    -0.05  -0.02   0.01     0.35   0.15   0.00
    23   1    -0.15   0.01  -0.01    -0.01  -0.02   0.00    -0.21  -0.02   0.00
    24   1     0.25  -0.12   0.01    -0.26   0.13   0.01    -0.21   0.10  -0.01
    25   1    -0.16  -0.00  -0.00     0.14  -0.01  -0.00     0.16  -0.04  -0.00
    26   1    -0.23   0.17  -0.00     0.24  -0.18   0.02     0.18  -0.14  -0.01
    27   1     0.09  -0.14   0.00    -0.05   0.11  -0.00    -0.09   0.13  -0.00
    28   6    -0.00   0.00  -0.00    -0.00   0.01   0.00    -0.00  -0.00  -0.00
    29   7     0.00   0.01  -0.00     0.01   0.01  -0.01    -0.00  -0.00   0.00
    30   1    -0.03  -0.12  -0.05    -0.03  -0.16  -0.09     0.02   0.09   0.04
    31   1     0.02   0.26   0.02     0.01   0.36   0.04    -0.00  -0.13  -0.01
    32   1    -0.12   0.14   0.12    -0.17   0.19   0.18     0.07  -0.08  -0.07
    33   1     0.06  -0.08  -0.08     0.06  -0.12  -0.13    -0.02   0.03   0.03
    34   1     0.06   0.07  -0.08     0.06   0.11  -0.12    -0.03  -0.05   0.06
    35   1    -0.12  -0.13   0.12    -0.18  -0.19   0.18     0.06   0.07  -0.07
    36   1    -0.02   0.12  -0.05    -0.03   0.18  -0.09     0.01  -0.05   0.03
    37   1     0.01  -0.26   0.02    -0.00  -0.35   0.03     0.00   0.15  -0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1170.6366              1172.2226              1189.7807
 Red. masses --      1.0742                 1.0712                 1.0612
 Frc consts  --      0.8674                 0.8672                 0.8851
 IR Inten    --     73.7737                68.4862                 0.8745
 RamAct Fr= 1--      8.9423                 8.5370                 7.8182
  Dep-P Fr= 1--      0.7397                 0.7500                 0.2992
  Dep-U Fr= 1--      0.8504                 0.8571                 0.4606
 Alpha2 Fr= 1--      0.0016                 0.0000                 0.0804
 Beta2  Fr= 1--      1.2674                 1.2196                 0.6002
 AlphaG Fr= 1--      0.0265                 0.0000                -0.0426
 Gamma2 Fr= 1--     -2.0187                 2.2636                -1.8234
 Delta2 Fr= 1--      3.3172                 5.0633                -5.1642
 Raman1 Fr= 1--      35.769                 34.148                 31.273
 ROA1   Fr= 1--     -87.641                379.326               -340.305
 CID1   Fr= 1--      -2.450                 11.108                -10.882
 Raman2 Fr= 1--      15.208                 14.635                  7.202
 ROA2   Fr= 1--     -74.985                 13.819                 -2.448
 CID2   Fr= 1--      -4.931                  0.944                 -0.340
 Raman3 Fr= 1--      30.417                 29.270                 14.405
 ROA3   Fr= 1--     -87.641                379.326               -340.305
 CID3   Fr= 1--      -2.881                 12.960                -23.624
 RC180  Fr= 1--       0.701                  0.714                 -0.079
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.01
     2   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.01
     3   7    -0.01  -0.00   0.01    -0.03  -0.01   0.02    -0.03  -0.00   0.01
     4  45    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   7     0.01  -0.01  -0.01    -0.03   0.01   0.01     0.03  -0.01  -0.01
     6   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01
     7   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.01
     8   7     0.01  -0.01   0.01    -0.02   0.02  -0.02     0.02  -0.02   0.01
     9   7    -0.01  -0.01  -0.01    -0.03  -0.02  -0.02    -0.02  -0.02  -0.01
    10   7    -0.02  -0.04   0.00    -0.00  -0.00   0.00     0.01   0.02   0.01
    11   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.01
    12   1     0.04  -0.10  -0.12    -0.08   0.18   0.21     0.07  -0.18  -0.18
    13   1    -0.01   0.02   0.02     0.01  -0.01  -0.01    -0.01   0.01   0.01
    14   1     0.09   0.00   0.10    -0.20  -0.02  -0.21     0.19   0.02   0.19
    15   1    -0.01   0.01   0.00     0.02  -0.00   0.01    -0.02   0.00  -0.02
    16   1    -0.08   0.00  -0.09    -0.20   0.02  -0.22    -0.19   0.03  -0.19
    17   1     0.01   0.01  -0.01     0.01   0.00   0.01     0.02   0.00   0.02
    18   1    -0.04  -0.09   0.11    -0.09  -0.18   0.22    -0.08  -0.17   0.18
    19   1     0.01   0.02  -0.02     0.02   0.02  -0.02     0.01   0.01  -0.01
    20   1     0.10   0.06   0.05     0.17   0.09   0.10     0.14   0.07   0.07
    21   1     0.16   0.09   0.02     0.28   0.17   0.04     0.25   0.16   0.04
    22   1     0.05   0.03  -0.04     0.17   0.09  -0.09     0.15   0.08  -0.07
    23   1     0.12   0.05  -0.01     0.31   0.17  -0.04     0.26   0.13  -0.03
    24   1    -0.06   0.04   0.04     0.17  -0.10  -0.09    -0.15   0.09   0.07
    25   1    -0.13   0.07   0.01     0.30  -0.18  -0.04    -0.26   0.14   0.03
    26   1    -0.10   0.06  -0.05     0.15  -0.09   0.10    -0.13   0.08  -0.07
    27   1    -0.17   0.11  -0.02     0.27  -0.18   0.04    -0.24   0.17  -0.04
    28   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.01
    29   7     0.02  -0.04  -0.00    -0.00   0.00   0.00    -0.01   0.02  -0.01
    30   1     0.05   0.43  -0.01     0.00   0.03  -0.01    -0.03  -0.23  -0.01
    31   1     0.11   0.23  -0.04     0.00  -0.00   0.00    -0.05  -0.10   0.03
    32   1    -0.01   0.02   0.01     0.01  -0.02  -0.01    -0.01  -0.03  -0.01
    33   1     0.19  -0.20  -0.22    -0.00   0.00  -0.00    -0.09   0.13   0.14
    34   1    -0.20  -0.20   0.22    -0.01  -0.01   0.01     0.10   0.13  -0.14
    35   1     0.01   0.02  -0.01     0.01   0.02  -0.01     0.00  -0.03   0.01
    36   1    -0.03   0.43   0.01    -0.00  -0.01  -0.01     0.02  -0.24   0.01
    37   1    -0.10   0.23   0.04    -0.00   0.01   0.00     0.05  -0.10  -0.03
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1223.4618              1226.3144              1244.7594
 Red. masses --      1.2544                 1.2485                 1.2398
 Frc consts  --      1.1063                 1.1062                 1.1318
 IR Inten    --      6.1565                 0.1951                32.6750
 RamAct Fr= 1--      4.9632                 5.7230                 0.8731
  Dep-P Fr= 1--      0.7500                 0.7499                 0.7499
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.7090                 0.8175                 0.1247
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--      1.4315                -4.9708                -0.3826
 Delta2 Fr= 1--      0.1650                -0.1386                -0.0320
 Raman1 Fr= 1--      19.853                 22.892                  3.493
 ROA1   Fr= 1--     142.705               -481.631                -37.755
 CID1   Fr= 1--       7.188                -21.039                -10.810
 Raman2 Fr= 1--       8.508                  9.810                  1.497
 ROA2   Fr= 1--      33.037               -118.190                 -8.928
 CID2   Fr= 1--       3.883                -12.048                 -5.965
 Raman3 Fr= 1--      17.016                 19.620                  2.993
 ROA3   Fr= 1--     142.705               -481.631                -37.755
 CID3   Fr= 1--       8.386                -24.548                -12.613
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01  -0.01    -0.03  -0.02  -0.02    -0.03  -0.01  -0.01
     2   6     0.01   0.01  -0.01     0.03   0.02  -0.02     0.03   0.02  -0.01
     3   7    -0.02  -0.01   0.02    -0.04  -0.02   0.03    -0.04  -0.02   0.02
     4  45     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   7    -0.02   0.01   0.02     0.04  -0.02  -0.03    -0.03   0.02   0.02
     6   6     0.01  -0.01  -0.01    -0.03   0.02   0.02     0.03  -0.02  -0.01
     7   6    -0.02   0.01  -0.01     0.03  -0.02   0.02    -0.03   0.01  -0.01
     8   7     0.02  -0.01   0.02    -0.04   0.03  -0.03     0.04  -0.02   0.02
     9   7     0.02   0.01   0.01     0.04   0.02   0.03     0.04   0.02   0.02
    10   7     0.04   0.06  -0.01    -0.00   0.00  -0.01    -0.03  -0.03  -0.00
    11   6    -0.02  -0.05   0.01     0.00  -0.00   0.01     0.01   0.02   0.00
    12   1     0.00  -0.02  -0.07    -0.01   0.02   0.13     0.01  -0.03  -0.11
    13   1     0.01  -0.01  -0.01    -0.01  -0.01  -0.00     0.02  -0.01  -0.01
    14   1    -0.00   0.00  -0.08     0.05   0.01   0.15    -0.01  -0.01  -0.08
    15   1     0.00   0.00  -0.00    -0.02  -0.01  -0.00    -0.03   0.02  -0.03
    16   1    -0.00  -0.00  -0.07    -0.05   0.01  -0.15    -0.01   0.01  -0.08
    17   1     0.00  -0.00  -0.00     0.01  -0.01   0.00    -0.03  -0.01  -0.02
    18   1     0.00   0.02  -0.06     0.01   0.02  -0.13     0.01   0.03  -0.11
    19   1     0.01   0.01  -0.02     0.01  -0.01   0.00     0.02   0.01  -0.01
    20   1    -0.06  -0.03  -0.05    -0.16  -0.08  -0.14    -0.11  -0.06  -0.09
    21   1    -0.16  -0.12  -0.02    -0.33  -0.22  -0.03    -0.33  -0.20  -0.04
    22   1     0.08   0.05  -0.08     0.16   0.09  -0.13     0.12   0.06  -0.08
    23   1     0.18   0.09  -0.01     0.40   0.17  -0.03     0.33   0.17  -0.03
    24   1     0.09  -0.06  -0.08    -0.15   0.10   0.13     0.11  -0.07  -0.08
    25   1     0.20  -0.11  -0.01    -0.38   0.18   0.03     0.32  -0.18  -0.03
    26   1    -0.07   0.04  -0.06     0.15  -0.08   0.14    -0.11   0.06  -0.09
    27   1    -0.17   0.14  -0.02     0.32  -0.23   0.03    -0.32   0.21  -0.04
    28   6    -0.02   0.05   0.01    -0.01   0.00  -0.01     0.01  -0.03   0.00
    29   7     0.03  -0.06  -0.01     0.01  -0.00   0.01    -0.02   0.03  -0.00
    30   1    -0.06  -0.53  -0.01     0.01   0.03   0.02     0.03   0.28   0.02
    31   1    -0.13  -0.18   0.06    -0.00  -0.01  -0.01     0.09   0.13  -0.05
    32   1    -0.02   0.04   0.01     0.02   0.02  -0.00    -0.02   0.05   0.05
    33   1    -0.13   0.01   0.07     0.00  -0.04  -0.04     0.10  -0.05  -0.08
    34   1    -0.13  -0.01   0.07    -0.01  -0.04   0.04     0.11   0.04  -0.08
    35   1    -0.02  -0.04   0.01    -0.02   0.01   0.00    -0.03  -0.05   0.05
    36   1    -0.04   0.53  -0.01    -0.01   0.05  -0.03     0.02  -0.28   0.02
    37   1    -0.12   0.19   0.06    -0.01  -0.00   0.01     0.08  -0.14  -0.05
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1292.2906              1292.6053              1297.3038
 Red. masses --      1.4046                 1.3948                 1.3712
 Frc consts  --      1.3820                 1.3731                 1.3596
 IR Inten    --      0.4428                 0.0353                 1.3624
 RamAct Fr= 1--      2.4954                 5.6375                 1.9182
  Dep-P Fr= 1--      0.5825                 0.0541                 0.6299
  Dep-U Fr= 1--      0.7362                 0.1026                 0.7730
 Alpha2 Fr= 1--      0.0078                 0.1103                 0.0042
 Beta2  Fr= 1--      0.3062                 0.0964                 0.2471
 AlphaG Fr= 1--     -0.0016                -0.0274                 0.0024
 Gamma2 Fr= 1--      0.1155                -1.4627                 1.6191
 Delta2 Fr= 1--      0.1830                -1.0675                 1.0088
 Raman1 Fr= 1--       9.982                 22.550                  7.673
 ROA1   Fr= 1--      16.939               -174.583                187.715
 CID1   Fr= 1--       1.697                 -7.742                 24.465
 Raman2 Fr= 1--       3.674                  1.157                  2.965
 ROA2   Fr= 1--       1.307                -26.566                 30.788
 CID2   Fr= 1--       0.356                -22.959                 10.382
 Raman3 Fr= 1--       7.348                  2.314                  5.931
 ROA3   Fr= 1--      16.939               -174.583                187.715
 CID3   Fr= 1--       2.305                -75.440                 31.651
 RC180  Fr= 1--       0.472                 -0.795                  0.546
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.05  -0.02    -0.04   0.06   0.03     0.03  -0.05  -0.02
     2   6    -0.03   0.06   0.02     0.03  -0.07  -0.04    -0.02   0.06   0.02
     3   7    -0.00  -0.03  -0.01    -0.00   0.02   0.02    -0.01  -0.02  -0.01
     4  45     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   7     0.00   0.03  -0.02     0.00   0.01  -0.01     0.00  -0.02   0.01
     6   6    -0.05  -0.08   0.04    -0.02  -0.03   0.02     0.02   0.05  -0.02
     7   6     0.05   0.08  -0.04     0.02   0.03  -0.02    -0.03  -0.05   0.02
     8   7    -0.03  -0.01   0.02    -0.01  -0.00   0.01     0.02   0.01  -0.01
     9   7    -0.02   0.01   0.01     0.02  -0.01  -0.02    -0.02   0.01   0.01
    10   7     0.00  -0.01   0.00     0.03  -0.02   0.02     0.02  -0.01   0.01
    11   6    -0.01   0.00  -0.01    -0.06   0.01  -0.06    -0.06   0.00  -0.06
    12   1     0.02  -0.08   0.09    -0.01   0.02   0.06    -0.02   0.06  -0.01
    13   1    -0.05  -0.03  -0.32    -0.02  -0.03  -0.14     0.04  -0.00   0.17
    14   1     0.09   0.02  -0.08    -0.01   0.01  -0.06    -0.06  -0.01   0.03
    15   1    -0.02   0.07   0.31     0.02   0.02   0.13     0.01  -0.04  -0.17
    16   1     0.07  -0.01  -0.03    -0.04   0.01   0.09     0.07  -0.01  -0.03
    17   1    -0.03  -0.04   0.19    -0.00   0.05  -0.26    -0.02  -0.04   0.19
    18   1     0.02   0.07   0.05     0.00  -0.02  -0.10     0.03   0.07   0.02
    19   1    -0.03   0.02  -0.20     0.03  -0.04   0.27    -0.04   0.00  -0.19
    20   1     0.20   0.17  -0.02    -0.23  -0.19   0.02     0.18   0.16  -0.03
    21   1    -0.08  -0.14   0.01     0.08   0.16  -0.01    -0.11  -0.16   0.00
    22   1     0.25   0.08   0.03    -0.27  -0.08  -0.04     0.25   0.08   0.02
    23   1    -0.17   0.01  -0.01     0.21   0.01   0.01    -0.14   0.01  -0.01
    24   1     0.36  -0.13   0.05     0.11  -0.04   0.02    -0.23   0.09  -0.01
    25   1    -0.26   0.00  -0.02    -0.10   0.02  -0.00     0.13   0.00   0.01
    26   1     0.28  -0.26  -0.03     0.10  -0.08  -0.00    -0.16   0.15   0.02
    27   1    -0.11   0.22   0.01    -0.03   0.07   0.01     0.10  -0.16  -0.00
    28   6     0.01  -0.00   0.01     0.06   0.01   0.06     0.06   0.00   0.06
    29   7    -0.01  -0.00  -0.00    -0.03  -0.02  -0.02    -0.02  -0.01  -0.01
    30   1    -0.01  -0.02  -0.03    -0.03  -0.16  -0.11    -0.03  -0.17  -0.10
    31   1     0.00   0.08   0.02     0.00   0.33   0.07     0.00   0.30   0.06
    32   1    -0.06  -0.02   0.03    -0.23  -0.04   0.12    -0.25   0.00   0.15
    33   1     0.01   0.00  -0.01     0.08   0.04   0.01     0.09   0.02  -0.00
    34   1    -0.02   0.02  -0.01    -0.07   0.04  -0.00    -0.09   0.03   0.00
    35   1     0.05  -0.01  -0.02     0.23  -0.06  -0.13     0.25  -0.01  -0.15
    36   1     0.01  -0.05   0.02     0.02  -0.15   0.11     0.02  -0.18   0.10
    37   1     0.00   0.07  -0.02     0.01   0.33  -0.07     0.01   0.30  -0.06
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1331.4597              1333.7213              1340.3173
 Red. masses --      1.1857                 1.1927                 1.1701
 Frc consts  --      1.2385                 1.2500                 1.2384
 IR Inten    --     24.5007                27.3947                 0.0260
 RamAct Fr= 1--      3.0308                 2.9776                 2.2761
  Dep-P Fr= 1--      0.7500                 0.7477                 0.2749
  Dep-U Fr= 1--      0.8571                 0.8557                 0.4313
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0251
 Beta2  Fr= 1--      0.4330                 0.4246                 0.1636
 AlphaG Fr= 1--      0.0000                 0.0045                 0.0136
 Gamma2 Fr= 1--     -4.7492                 3.0329                -2.2690
 Delta2 Fr= 1--     -4.9046                 1.5100                -1.7694
 Raman1 Fr= 1--      12.123                 11.910                  9.104
 ROA1   Fr= 1--    -612.875                339.477               -274.444
 CID1   Fr= 1--     -50.555                 28.503                -30.144
 Raman2 Fr= 1--       5.195                  5.096                  1.963
 ROA2   Fr= 1--     -74.744                 60.709                -40.300
 CID2   Fr= 1--     -14.386                 11.914                -20.527
 Raman3 Fr= 1--      10.391                 10.191                  3.927
 ROA3   Fr= 1--    -612.875                339.477               -274.444
 CID3   Fr= 1--     -58.982                 33.311                -69.894
 RC180  Fr= 1--       0.714                  0.711                 -0.137
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00   0.04     0.01  -0.01   0.02    -0.01   0.01  -0.03
     2   6     0.00   0.01  -0.04    -0.00   0.01  -0.02    -0.01  -0.00   0.02
     3   7    -0.02  -0.04   0.01    -0.01  -0.03   0.01     0.02   0.02  -0.01
     4  45     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   7    -0.02   0.04   0.01     0.01  -0.02  -0.01    -0.01   0.02   0.01
     6   6     0.00  -0.01  -0.04     0.00   0.01   0.02     0.01  -0.00  -0.02
     7   6     0.01   0.00   0.04    -0.01  -0.01  -0.02     0.01   0.01   0.03
     8   7    -0.04  -0.00  -0.02     0.02   0.00   0.00    -0.04  -0.00  -0.01
     9   7    -0.04   0.00  -0.02    -0.02   0.00  -0.01     0.04  -0.00   0.01
    10   7     0.00  -0.00   0.00    -0.01  -0.04   0.03     0.00  -0.03   0.02
    11   6    -0.00  -0.00  -0.00     0.04   0.01  -0.02     0.02   0.01  -0.02
    12   1     0.10  -0.25  -0.19    -0.06   0.14   0.12     0.10  -0.22  -0.19
    13   1    -0.07   0.15   0.22     0.05  -0.08  -0.09    -0.09   0.17   0.19
    14   1     0.28   0.02   0.23    -0.15  -0.01  -0.10     0.14   0.01   0.10
    15   1    -0.18  -0.01  -0.23     0.08   0.00   0.10    -0.10  -0.01  -0.16
    16   1     0.27  -0.03   0.22     0.18  -0.02   0.12    -0.16   0.02  -0.12
    17   1    -0.17   0.01  -0.22    -0.10   0.01  -0.12     0.12  -0.01   0.17
    18   1     0.10   0.23  -0.17     0.07   0.14  -0.12    -0.10  -0.20   0.17
    19   1    -0.07  -0.14   0.20    -0.05  -0.09   0.10     0.09   0.16  -0.19
    20   1     0.13   0.11   0.06     0.10   0.08   0.02    -0.16  -0.13  -0.05
    21   1     0.13   0.05   0.02     0.05   0.00   0.01    -0.13  -0.03  -0.02
    22   1     0.18   0.06  -0.05     0.14   0.05  -0.04    -0.13  -0.05   0.03
    23   1     0.08   0.09  -0.02     0.06   0.05  -0.01    -0.10  -0.06   0.01
    24   1     0.19  -0.07  -0.06    -0.12   0.05   0.03     0.11  -0.05  -0.03
    25   1     0.08  -0.10  -0.02    -0.05   0.05   0.01     0.11  -0.06  -0.01
    26   1     0.14  -0.12   0.07    -0.09   0.08  -0.02     0.17  -0.15   0.05
    27   1     0.14  -0.05   0.02    -0.04  -0.00  -0.01     0.13  -0.03   0.02
    28   6     0.00   0.00  -0.00    -0.04   0.01   0.02    -0.02   0.01   0.02
    29   7     0.00   0.00   0.00     0.01  -0.04  -0.03    -0.00  -0.03  -0.02
    30   1    -0.00  -0.01  -0.01     0.01   0.16  -0.04     0.00   0.09  -0.04
    31   1    -0.01   0.02   0.01     0.08   0.21   0.01     0.05   0.22   0.02
    32   1    -0.01  -0.02  -0.00     0.20  -0.16  -0.19     0.09  -0.13  -0.11
    33   1    -0.02   0.01   0.01    -0.15   0.26   0.26    -0.09   0.17   0.16
    34   1    -0.03  -0.02   0.02     0.16   0.25  -0.25     0.10   0.17  -0.16
    35   1     0.01   0.03  -0.01    -0.20  -0.15   0.19    -0.10  -0.13   0.11
    36   1    -0.00   0.00  -0.01    -0.00   0.16   0.04    -0.00   0.09   0.04
    37   1    -0.00  -0.03   0.01    -0.07   0.21  -0.01    -0.04   0.22  -0.02
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1347.5049              1348.6581              1350.4537
 Red. masses --      1.1947                 1.1898                 1.1935
 Frc consts  --      1.2781                 1.2751                 1.2824
 IR Inten    --      8.2756                 1.8523                 9.5788
 RamAct Fr= 1--      3.2365                10.0263                 8.1728
  Dep-P Fr= 1--      0.7489                 0.7486                 0.7500
  Dep-U Fr= 1--      0.8564                 0.8562                 0.8571
 Alpha2 Fr= 1--      0.0001                 0.0002                 0.0000
 Beta2  Fr= 1--      0.4620                 1.4308                 1.1675
 AlphaG Fr= 1--      0.0001                 0.0006                 0.0000
 Gamma2 Fr= 1--      3.4601                12.0628                -6.1729
 Delta2 Fr= 1--      0.7241                 2.7480                -0.4235
 Raman1 Fr= 1--      12.946                 40.105                 32.691
 ROA1   Fr= 1--     355.338               1245.964               -606.146
 CID1   Fr= 1--      27.448                 31.067                -18.541
 Raman2 Fr= 1--       5.544                 17.169                 14.010
 ROA2   Fr= 1--      77.248                267.523               -144.761
 CID2   Fr= 1--      13.934                 15.582                -10.332
 Raman3 Fr= 1--      11.088                 34.338                 28.021
 ROA3   Fr= 1--     355.338               1245.964               -606.146
 CID3   Fr= 1--      32.048                 36.285                -21.632
 RC180  Fr= 1--       0.713                  0.712                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.04  -0.01    -0.00   0.05  -0.00     0.00   0.01  -0.00
     2   6    -0.03   0.02  -0.01    -0.03   0.03  -0.01    -0.01   0.00  -0.00
     3   7    -0.00  -0.04  -0.00    -0.01  -0.05  -0.00     0.00  -0.01  -0.00
     4  45     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     5   7    -0.00   0.04  -0.00     0.01  -0.04   0.00     0.00   0.01  -0.00
     6   6    -0.04  -0.03  -0.01     0.03   0.03   0.01    -0.01  -0.00  -0.00
     7   6    -0.01  -0.05  -0.01     0.00   0.04   0.00     0.00  -0.01   0.00
     8   7     0.04   0.01  -0.00    -0.03  -0.01   0.00     0.00   0.00  -0.00
     9   7     0.04  -0.02   0.00     0.03  -0.02  -0.00     0.00  -0.00  -0.00
    10   7     0.00  -0.01   0.01     0.00   0.00  -0.00    -0.02   0.04  -0.04
    11   6    -0.00  -0.01  -0.01    -0.00   0.00   0.00     0.01   0.03   0.06
    12   1    -0.11   0.23   0.26     0.09  -0.20  -0.20    -0.01   0.03   0.04
    13   1     0.11  -0.16  -0.06    -0.07   0.11   0.03     0.01  -0.01   0.01
    14   1     0.25   0.01   0.26    -0.27  -0.01  -0.27     0.05   0.00   0.06
    15   1    -0.18   0.02  -0.07     0.19  -0.02   0.10    -0.04   0.00  -0.03
    16   1     0.21  -0.01   0.23     0.28  -0.02   0.28     0.05  -0.00   0.06
    17   1    -0.15  -0.01  -0.05    -0.20  -0.01  -0.10    -0.04  -0.00  -0.02
    18   1    -0.13  -0.23   0.27    -0.11  -0.21   0.23    -0.02  -0.03   0.05
    19   1     0.12   0.15  -0.07     0.09   0.12  -0.04     0.01   0.01   0.01
    20   1    -0.21  -0.19  -0.02    -0.19  -0.17  -0.01    -0.01  -0.02   0.01
    21   1    -0.02   0.08  -0.01     0.00   0.09  -0.01     0.04   0.04   0.00
    22   1     0.21   0.06  -0.00     0.30   0.09  -0.01     0.05   0.01   0.00
    23   1    -0.08   0.04  -0.01    -0.05   0.05  -0.02    -0.03   0.00  -0.00
    24   1     0.25  -0.08  -0.01    -0.28   0.10   0.01     0.04  -0.01   0.00
    25   1    -0.08  -0.05  -0.02     0.04   0.05   0.02    -0.03  -0.00  -0.00
    26   1    -0.20   0.20  -0.02     0.16  -0.16   0.01    -0.01   0.01   0.01
    27   1    -0.01  -0.09  -0.01    -0.00   0.08   0.01     0.04  -0.04   0.01
    28   6    -0.00   0.01  -0.01     0.00   0.00  -0.01     0.00  -0.03   0.06
    29   7     0.00   0.01   0.01    -0.00   0.01   0.00    -0.02  -0.04  -0.04
    30   1    -0.00  -0.01  -0.02    -0.00  -0.02   0.01     0.02   0.03   0.11
    31   1     0.01   0.06   0.01    -0.01  -0.03   0.00    -0.05  -0.37  -0.07
    32   1     0.01  -0.03  -0.03    -0.02   0.00   0.02    -0.04   0.21   0.12
    33   1    -0.04   0.06   0.07     0.01  -0.03  -0.03     0.27  -0.30  -0.30
    34   1    -0.03  -0.05   0.06    -0.01  -0.04   0.04     0.28   0.29  -0.31
    35   1     0.01   0.02  -0.02     0.02   0.01  -0.02    -0.04  -0.21   0.12
    36   1    -0.00   0.02  -0.01    -0.00  -0.02  -0.01     0.02  -0.03   0.11
    37   1     0.01  -0.05   0.01     0.01  -0.04  -0.00    -0.04   0.38  -0.07
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1404.6482              1405.3722              1406.9164
 Red. masses --      1.2658                 1.2682                 1.2640
 Frc consts  --      1.4714                 1.4757                 1.4741
 IR Inten    --      0.5887                 1.1744                 1.3061
 RamAct Fr= 1--      0.7215                 1.8246                 1.2198
  Dep-P Fr= 1--      0.7500                 0.7498                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8570                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1031                 0.2606                 0.1743
 AlphaG Fr= 1--      0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--     -0.6616                -2.4101                 1.8312
 Delta2 Fr= 1--     -0.2486                -1.0241                 0.8658
 Raman1 Fr= 1--       2.886                  7.298                  4.879
 ROA1   Fr= 1--     -71.469               -264.143                203.495
 CID1   Fr= 1--     -24.765                -36.193                 41.705
 Raman2 Fr= 1--       1.237                  3.127                  2.091
 ROA2   Fr= 1--     -13.889                -49.650                 37.022
 CID2   Fr= 1--     -11.230                -15.876                 17.704
 Raman3 Fr= 1--       2.474                  6.255                  4.182
 ROA3   Fr= 1--     -71.469               -264.143                203.495
 CID3   Fr= 1--     -28.893                -42.231                 48.657
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02  -0.05     0.04   0.02  -0.06    -0.01  -0.01   0.02
     2   6    -0.03  -0.01  -0.05    -0.04  -0.02  -0.07     0.01   0.00   0.02
     3   7    -0.01   0.01   0.01    -0.01   0.01   0.02     0.01  -0.00  -0.01
     4  45    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7    -0.01  -0.01   0.02     0.01   0.01  -0.02     0.01   0.00  -0.01
     6   6    -0.04   0.02  -0.06     0.03  -0.02   0.05     0.01  -0.01   0.02
     7   6     0.04  -0.03  -0.06    -0.03   0.02   0.05    -0.01   0.01   0.02
     8   7    -0.00  -0.02   0.02     0.00   0.01  -0.01    -0.00   0.01  -0.01
     9   7    -0.00   0.01   0.02    -0.00   0.02   0.02    -0.00  -0.01  -0.01
    10   7    -0.01  -0.00  -0.00    -0.00  -0.00   0.00    -0.03  -0.01  -0.01
    11   6     0.02  -0.02  -0.01     0.01  -0.01  -0.00     0.07  -0.06  -0.03
    12   1    -0.07   0.16   0.23     0.06  -0.12  -0.20     0.02  -0.05  -0.06
    13   1    -0.14   0.27   0.24     0.09  -0.21  -0.20     0.04  -0.07  -0.06
    14   1     0.16   0.00   0.25    -0.13  -0.00  -0.21    -0.05  -0.00  -0.07
    15   1     0.29   0.01   0.26    -0.25  -0.01  -0.23    -0.09   0.00  -0.08
    16   1     0.12  -0.01   0.19     0.17  -0.01   0.26    -0.06   0.01  -0.07
    17   1     0.22  -0.02   0.20     0.31  -0.03   0.29    -0.10   0.00  -0.09
    18   1    -0.06  -0.12   0.17    -0.08  -0.15   0.25     0.02   0.05  -0.06
    19   1    -0.12  -0.21   0.19    -0.13  -0.26   0.25     0.04   0.08  -0.06
    20   1     0.08   0.08  -0.02     0.10   0.10  -0.02    -0.02  -0.03   0.01
    21   1    -0.06  -0.08   0.01    -0.08  -0.10   0.01     0.04   0.04   0.00
    22   1    -0.09  -0.02  -0.02    -0.15  -0.04  -0.03     0.04   0.01   0.01
    23   1     0.10   0.01   0.01     0.13   0.02   0.01    -0.06  -0.01  -0.00
    24   1    -0.13   0.04  -0.03     0.12  -0.03   0.03     0.03  -0.01   0.01
    25   1     0.13  -0.02   0.01    -0.10   0.03  -0.01    -0.06   0.01  -0.00
    26   1     0.10  -0.11  -0.02    -0.07   0.08   0.02    -0.02   0.02   0.01
    27   1    -0.07   0.11   0.01     0.06  -0.08  -0.00     0.04  -0.04   0.00
    28   6     0.03   0.02  -0.01     0.00   0.00   0.00     0.07   0.05  -0.03
    29   7    -0.01   0.00  -0.00     0.00  -0.00  -0.00    -0.03   0.01  -0.01
    30   1     0.00   0.05   0.02     0.00   0.02   0.00     0.02   0.15   0.07
    31   1     0.00  -0.06  -0.02     0.00  -0.02  -0.01     0.01  -0.18  -0.06
    32   1    -0.08   0.09   0.11    -0.02   0.04   0.03    -0.23   0.32   0.30
    33   1    -0.09   0.05   0.05    -0.01   0.02   0.02    -0.24   0.17   0.20
    34   1    -0.09  -0.05   0.06    -0.02   0.00  -0.00    -0.25  -0.16   0.20
    35   1    -0.09  -0.10   0.11    -0.01   0.01   0.01    -0.24  -0.31   0.31
    36   1     0.00  -0.05   0.02     0.00  -0.00   0.00     0.01  -0.15   0.07
    37   1     0.01   0.06  -0.02    -0.00   0.00   0.00     0.01   0.18  -0.06
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1443.1507              1444.8377              1445.3761
 Red. masses --      1.4462                 1.4516                 1.4413
 Frc consts  --      1.7746                 1.7853                 1.7740
 IR Inten    --      3.8377                 0.8426                 2.5602
 RamAct Fr= 1--      0.3338                 0.2979                 0.9229
  Dep-P Fr= 1--      0.7491                 0.6734                 0.6939
  Dep-U Fr= 1--      0.8566                 0.8048                 0.8193
 Alpha2 Fr= 1--      0.0000                 0.0004                 0.0009
 Beta2  Fr= 1--      0.0477                 0.0400                 0.1260
 AlphaG Fr= 1--     -0.0002                 0.0020                -0.0328
 Gamma2 Fr= 1--      0.8409                -1.0468                 0.0971
 Delta2 Fr= 1--      0.5167                -0.6792                 0.2777
 Raman1 Fr= 1--       1.335                  1.191                  3.692
 ROA1   Fr= 1--      97.262               -122.230                 18.210
 CID1   Fr= 1--      72.842               -102.589                  4.933
 Raman2 Fr= 1--       0.572                  0.479                  1.512
 ROA2   Fr= 1--      16.048                -19.690                  0.110
 CID2   Fr= 1--      28.063                -41.067                  0.072
 Raman3 Fr= 1--       1.144                  0.959                  3.025
 ROA3   Fr= 1--      97.262               -122.230                 18.210
 CID3   Fr= 1--      85.039               -127.465                  6.021
 RC180  Fr= 1--       0.713                  0.610                  0.639
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03   0.08     0.00   0.01  -0.03    -0.01  -0.03   0.09
     2   6    -0.03   0.01  -0.08     0.01  -0.00   0.04    -0.03   0.01  -0.09
     3   7    -0.01   0.01   0.02     0.00  -0.00  -0.01    -0.01   0.00   0.02
     4  45     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     5   7    -0.01  -0.00   0.03    -0.00  -0.00   0.01     0.01   0.00  -0.02
     6   6    -0.03  -0.01  -0.10    -0.01  -0.00  -0.03     0.03   0.01   0.07
     7   6    -0.01   0.04   0.10     0.00   0.01   0.03     0.01  -0.03  -0.08
     8   7    -0.00   0.01  -0.03    -0.00   0.00  -0.01     0.00  -0.01   0.02
     9   7    -0.00  -0.01  -0.02     0.00   0.00   0.01    -0.00  -0.01  -0.03
    10   7    -0.00  -0.00   0.00    -0.04  -0.01  -0.00    -0.01  -0.00  -0.00
    11   6     0.00  -0.00  -0.00     0.10  -0.03  -0.07     0.04  -0.01  -0.02
    12   1     0.09  -0.09  -0.17     0.03  -0.04  -0.05    -0.07   0.10   0.14
    13   1     0.08  -0.28  -0.33     0.02  -0.07  -0.08    -0.08   0.24   0.26
    14   1     0.12  -0.04   0.18     0.02  -0.02   0.07    -0.10   0.02  -0.13
    15   1     0.27   0.06   0.34     0.07   0.04   0.12    -0.21  -0.04  -0.25
    16   1     0.10   0.03   0.15    -0.03  -0.03  -0.08     0.11   0.03   0.15
    17   1     0.23  -0.06   0.29    -0.08   0.04  -0.14     0.24  -0.06   0.29
    18   1     0.08   0.08  -0.15    -0.03  -0.04   0.06     0.09   0.11  -0.16
    19   1     0.08   0.24  -0.29    -0.03  -0.08   0.11     0.11   0.27  -0.31
    20   1    -0.05  -0.07   0.06    -0.00   0.01  -0.02    -0.06  -0.08   0.06
    21   1     0.11   0.08  -0.00    -0.04  -0.03   0.00     0.13   0.11  -0.00
    22   1    -0.08  -0.01  -0.05     0.03   0.00   0.02    -0.07  -0.01  -0.07
    23   1     0.12   0.04   0.01    -0.05  -0.02  -0.00     0.14   0.06   0.00
    24   1    -0.09   0.02  -0.06    -0.02   0.00  -0.02     0.06  -0.01   0.06
    25   1     0.14  -0.05   0.01     0.04  -0.02   0.00    -0.12   0.06  -0.00
    26   1    -0.06   0.08   0.07     0.01   0.00   0.02     0.05  -0.07  -0.05
    27   1     0.12  -0.10  -0.00     0.03  -0.03   0.00    -0.11   0.10   0.00
    28   6    -0.00   0.00   0.00    -0.10  -0.03   0.07    -0.04  -0.01   0.02
    29   7    -0.00   0.00  -0.00     0.03  -0.01   0.00     0.01  -0.00   0.00
    30   1     0.00   0.02  -0.00     0.01   0.20   0.03     0.00   0.06   0.02
    31   1     0.01  -0.01  -0.01     0.06  -0.11  -0.07     0.01  -0.06  -0.02
    32   1     0.00   0.02   0.00    -0.30   0.25   0.37    -0.12   0.09   0.15
    33   1     0.01   0.01   0.01    -0.19   0.16   0.11    -0.08   0.04   0.02
    34   1     0.01  -0.00   0.01     0.20   0.15  -0.11     0.08   0.04  -0.02
    35   1     0.00  -0.02  -0.00     0.31   0.24  -0.37     0.12   0.08  -0.15
    36   1    -0.00  -0.01  -0.00     0.00   0.20  -0.03    -0.00   0.05  -0.02
    37   1     0.00   0.01  -0.00    -0.06  -0.11   0.07    -0.01  -0.06   0.02
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1502.8905              1503.4571              1503.9151
 Red. masses --      1.0801                 1.0800                 1.0826
 Frc consts  --      1.4374                 1.4384                 1.4427
 IR Inten    --     32.4558                25.4529                16.8824
 RamAct Fr= 1--      4.2955                 8.3312                 6.9302
  Dep-P Fr= 1--      0.6463                 0.5453                 0.3136
  Dep-U Fr= 1--      0.7851                 0.7058                 0.4775
 Alpha2 Fr= 1--      0.0080                 0.0327                 0.0682
 Beta2  Fr= 1--      0.5621                 0.9800                 0.5515
 AlphaG Fr= 1--      0.0016                 0.0729                 0.0635
 Gamma2 Fr= 1--     -0.9617                 0.3552                -0.3716
 Delta2 Fr= 1--     -0.9934                 0.4360                 0.5789
 Raman1 Fr= 1--      17.182                 33.325                 27.721
 ROA1   Fr= 1--    -124.112                 48.054                -17.152
 CID1   Fr= 1--      -7.223                  1.442                 -0.619
 Raman2 Fr= 1--       6.745                 11.760                  6.618
 ROA2   Fr= 1--     -15.134                  5.037                -13.551
 CID2   Fr= 1--      -2.244                  0.428                 -2.047
 Raman3 Fr= 1--      13.490                 23.520                 13.237
 ROA3   Fr= 1--    -124.112                 48.054                -17.152
 CID3   Fr= 1--      -9.200                  2.043                 -1.296
 RC180  Fr= 1--       0.570                  0.412                 -0.045
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.01     0.00   0.00   0.00    -0.03  -0.04  -0.05
     2   6    -0.01  -0.00   0.01     0.02  -0.00  -0.02     0.01  -0.00  -0.01
     3   7    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     4  45     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   7    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.01   0.00   0.00     0.01   0.00  -0.02     0.01   0.00  -0.01
     7   6    -0.01   0.02  -0.02    -0.03   0.05  -0.05     0.00  -0.00   0.00
     8   7    -0.00   0.00  -0.00    -0.01   0.01  -0.00     0.00  -0.00  -0.00
     9   7    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.01  -0.00
    10   7    -0.00  -0.01  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    11   6    -0.05  -0.04  -0.01     0.01   0.01   0.00     0.01   0.02   0.01
    12   1    -0.05  -0.21   0.14    -0.12  -0.52   0.33     0.00   0.01  -0.01
    13   1     0.22  -0.04   0.11     0.54  -0.13   0.26    -0.01   0.01   0.00
    14   1     0.06   0.05  -0.05    -0.11  -0.08   0.08    -0.11  -0.08   0.09
    15   1     0.07  -0.06  -0.01    -0.05   0.11   0.09    -0.08   0.11   0.07
    16   1     0.06  -0.05  -0.05    -0.12   0.11   0.10    -0.08   0.06   0.06
    17   1     0.07   0.06  -0.02    -0.11  -0.13   0.08    -0.04  -0.08   0.08
    18   1    -0.01   0.07   0.05     0.00  -0.01  -0.01    -0.09   0.50   0.32
    19   1     0.07   0.01   0.04    -0.02  -0.01   0.00     0.52   0.09   0.26
    20   1     0.02   0.01   0.00    -0.01  -0.01   0.01     0.02   0.01  -0.01
    21   1     0.00   0.00   0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
    22   1    -0.01  -0.01   0.01    -0.03  -0.01   0.01    -0.01  -0.00   0.02
    23   1     0.01  -0.01   0.00     0.01  -0.01   0.00     0.03  -0.02   0.00
    24   1    -0.01   0.00   0.01    -0.01   0.00   0.02    -0.03   0.01   0.01
    25   1     0.02   0.01   0.00     0.03   0.02   0.00     0.00   0.01   0.00
    26   1     0.03  -0.02  -0.00     0.00   0.00  -0.02    -0.01   0.01   0.00
    27   1     0.00   0.00   0.00     0.00  -0.01  -0.00     0.00   0.01  -0.00
    28   6    -0.03   0.02  -0.00     0.02  -0.01   0.00    -0.02   0.02  -0.01
    29   7    -0.00   0.01   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    30   1    -0.00   0.01  -0.01     0.00  -0.00   0.01    -0.01  -0.02  -0.02
    31   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01   0.01  -0.00
    32   1     0.16   0.46  -0.22    -0.04  -0.09   0.05    -0.03  -0.19   0.05
    33   1     0.42   0.15   0.32    -0.09  -0.03  -0.06    -0.15  -0.05  -0.11
    34   1     0.25  -0.11   0.19    -0.15   0.06  -0.12     0.19  -0.07   0.14
    35   1     0.11  -0.27  -0.16    -0.05   0.17   0.08     0.04  -0.23  -0.08
    36   1    -0.01   0.00  -0.02    -0.00   0.01   0.00     0.00  -0.01   0.02
    37   1     0.01  -0.01  -0.00     0.00  -0.00   0.00    -0.01   0.00   0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1504.1808              1504.5459              1504.6550
 Red. masses --      1.0781                 1.0812                 1.0803
 Frc consts  --      1.4372                 1.4420                 1.4410
 IR Inten    --     17.4289                 4.2720                 4.0652
 RamAct Fr= 1--      5.5984                 5.6974                 9.1974
  Dep-P Fr= 1--      0.4638                 0.7214                 0.5977
  Dep-U Fr= 1--      0.6337                 0.8382                 0.7482
 Alpha2 Fr= 1--      0.0324                 0.0028                 0.0260
 Beta2  Fr= 1--      0.5913                 0.7959                 1.1469
 AlphaG Fr= 1--     -0.0459                 0.0369                 0.0787
 Gamma2 Fr= 1--     -3.3481                 2.9464                -1.8996
 Delta2 Fr= 1--     -2.0156                 1.7629                -0.1971
 Raman1 Fr= 1--      22.394                 22.790                 36.790
 ROA1   Fr= 1--    -385.916                339.269               -188.665
 CID1   Fr= 1--     -17.233                 14.887                 -5.128
 Raman2 Fr= 1--       7.095                  9.551                 13.763
 ROA2   Fr= 1--     -64.230                 56.611                -44.012
 CID2   Fr= 1--      -9.053                  5.927                 -3.198
 Raman3 Fr= 1--      14.190                 19.102                 27.527
 ROA3   Fr= 1--    -385.916                339.269               -188.665
 CID3   Fr= 1--     -27.196                 17.761                 -6.854
 RC180  Fr= 1--       0.267                  0.676                  0.496
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.01    -0.02  -0.02  -0.01     0.01   0.01   0.01
     2   6     0.04   0.00  -0.03    -0.04  -0.00   0.03    -0.01   0.00   0.01
     3   7     0.01   0.00  -0.00    -0.01   0.00   0.00    -0.00  -0.00   0.00
     4  45    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     5   7     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.01  -0.00  -0.00
     6   6     0.01  -0.00  -0.00     0.00   0.00  -0.00     0.06  -0.00  -0.04
     7   6     0.01  -0.01   0.01    -0.00   0.00  -0.00     0.01  -0.01  -0.00
     8   7    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.01   0.00
     9   7    -0.00  -0.00   0.00     0.00  -0.01  -0.00     0.00   0.00   0.00
    10   7    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    11   6    -0.02  -0.03  -0.01    -0.01  -0.01  -0.00    -0.01  -0.01   0.00
    12   1     0.04   0.15  -0.10    -0.01  -0.03   0.02     0.02   0.06  -0.04
    13   1    -0.17   0.06  -0.06     0.03  -0.00   0.02    -0.09   0.06   0.02
    14   1    -0.04  -0.03   0.03    -0.01  -0.01   0.01    -0.45  -0.35   0.34
    15   1    -0.04   0.04   0.01     0.00   0.01   0.01    -0.41   0.46   0.22
    16   1    -0.29   0.25   0.23     0.31  -0.27  -0.24     0.08  -0.06  -0.06
    17   1    -0.28  -0.30   0.16     0.32   0.32  -0.15     0.06   0.08  -0.05
    18   1    -0.02   0.13   0.08    -0.05   0.24   0.15     0.02  -0.12  -0.08
    19   1     0.13   0.01   0.09     0.28   0.10   0.07    -0.13  -0.02  -0.06
    20   1    -0.01  -0.01   0.00    -0.03  -0.02  -0.03     0.00   0.00   0.00
    21   1     0.00  -0.02   0.00    -0.00   0.05  -0.01    -0.00   0.00   0.00
    22   1     0.01   0.00  -0.01    -0.00   0.00   0.03     0.00   0.00  -0.00
    23   1    -0.01   0.01  -0.00     0.03  -0.02   0.01    -0.01   0.01  -0.00
    24   1    -0.01   0.00  -0.01    -0.01   0.01   0.01     0.01  -0.00  -0.03
    25   1    -0.01  -0.01  -0.00     0.01   0.01   0.00    -0.03  -0.02  -0.01
    26   1     0.02  -0.01   0.02     0.00  -0.00   0.00     0.01  -0.01   0.03
    27   1     0.00   0.02   0.00     0.00   0.00   0.00     0.01   0.05   0.01
    28   6     0.02  -0.03   0.01     0.03  -0.03   0.01    -0.00   0.01  -0.00
    29   7     0.01  -0.01   0.00     0.00  -0.01   0.00    -0.00   0.00   0.00
    30   1     0.01   0.02   0.03     0.01   0.01   0.03    -0.01  -0.04  -0.01
    31   1    -0.02  -0.00   0.01    -0.02  -0.01   0.01     0.00   0.00  -0.00
    32   1     0.07   0.33  -0.10     0.01   0.11  -0.01     0.04   0.09  -0.06
    33   1     0.27   0.10   0.21     0.08   0.02   0.06     0.09   0.02   0.06
    34   1    -0.25   0.10  -0.19    -0.31   0.12  -0.23     0.04  -0.03   0.04
    35   1    -0.05   0.32   0.09    -0.09   0.37   0.15     0.02  -0.06  -0.02
    36   1    -0.01   0.04  -0.04     0.00  -0.01  -0.01     0.00  -0.01  -0.00
    37   1     0.02  -0.01  -0.01     0.01  -0.00  -0.00     0.00  -0.00  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   1639.9358              1656.5006              1656.6707
 Red. masses --      1.0767                 1.0790                 1.0792
 Frc consts  --      1.7061                 1.7444                 1.7451
 IR Inten    --    124.8045                38.2782                17.6612
 RamAct Fr= 1--      0.2303                 4.1657                 7.6650
  Dep-P Fr= 1--      0.7500                 0.7497                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8569                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0329                 0.5950                 1.0950
 AlphaG Fr= 1--     -0.0000                 0.0010                -0.0000
 Gamma2 Fr= 1--      0.0845                 1.8005                 4.7527
 Delta2 Fr= 1--      0.0995                 3.4238                 5.9248
 Raman1 Fr= 1--       0.921                 16.663                 30.660
 ROA1   Fr= 1--      11.295                282.404                645.856
 CID1   Fr= 1--      12.259                 16.948                 21.065
 Raman2 Fr= 1--       0.395                  7.139                 13.140
 ROA2   Fr= 1--       1.232                 15.821                 66.667
 CID2   Fr= 1--       3.119                  2.216                  5.074
 Raman3 Fr= 1--       0.790                 14.279                 26.280
 ROA3   Fr= 1--      11.295                282.404                645.856
 CID3   Fr= 1--      14.302                 19.778                 24.576
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.01  -0.00   0.01     0.00   0.00   0.01
     2   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.01
     3   7    -0.02   0.01  -0.02     0.01  -0.01   0.01    -0.02   0.02  -0.02
     4  45    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   7    -0.02  -0.01  -0.02     0.00   0.00   0.00    -0.03  -0.02  -0.03
     6   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.01  -0.01
     7   6    -0.00  -0.00  -0.00    -0.01  -0.00  -0.01     0.00  -0.00   0.01
     8   7    -0.00  -0.03  -0.02    -0.00  -0.04  -0.03     0.00   0.01   0.01
     9   7    -0.00   0.02  -0.02     0.00  -0.03   0.02     0.00  -0.02   0.01
    10   7     0.01  -0.01  -0.03     0.01  -0.01  -0.03    -0.00   0.01   0.01
    11   6     0.00   0.00  -0.00     0.01   0.00  -0.01     0.00  -0.00   0.00
    12   1    -0.01   0.02   0.00    -0.02   0.00   0.02     0.01   0.02  -0.03
    13   1    -0.00  -0.00  -0.00     0.02  -0.01   0.00    -0.03   0.00  -0.01
    14   1     0.01  -0.00   0.00     0.01   0.01  -0.02     0.01  -0.02   0.02
    15   1    -0.01  -0.00  -0.00     0.01  -0.01  -0.01    -0.02   0.02   0.00
    16   1     0.01   0.00   0.00    -0.01   0.00   0.01     0.01   0.02   0.02
    17   1    -0.01   0.00  -0.00     0.00  -0.01   0.01    -0.02  -0.01  -0.00
    18   1    -0.01  -0.02   0.00     0.01   0.01  -0.01     0.02  -0.01  -0.03
    19   1    -0.00   0.00  -0.00    -0.01  -0.01   0.00    -0.03  -0.00  -0.01
    20   1    -0.06  -0.09   0.29     0.08   0.12  -0.36     0.04   0.06  -0.21
    21   1     0.13  -0.28   0.02    -0.15   0.36  -0.02    -0.09   0.21  -0.01
    22   1     0.08   0.01   0.23    -0.05  -0.00  -0.13     0.13   0.01   0.35
    23   1     0.13  -0.20   0.02    -0.09   0.10  -0.01     0.22  -0.31   0.04
    24   1     0.09  -0.01   0.24    -0.01   0.00  -0.03     0.15  -0.02   0.43
    25   1     0.14   0.20   0.02    -0.01  -0.03  -0.01     0.29   0.37   0.04
    26   1    -0.05   0.10   0.29    -0.08   0.14   0.41     0.01  -0.02  -0.09
    27   1     0.14   0.28   0.02     0.19   0.41   0.03    -0.04  -0.09  -0.01
    28   6     0.00  -0.00  -0.00    -0.01   0.00   0.00    -0.00   0.00   0.00
    29   7     0.01   0.01  -0.03    -0.01  -0.01   0.02    -0.01  -0.01   0.02
    30   1     0.09   0.03   0.29     0.08   0.04   0.26    -0.04  -0.02  -0.11
    31   1    -0.25   0.09   0.15    -0.23   0.08   0.14     0.09  -0.04  -0.06
    32   1     0.00  -0.00  -0.01    -0.01  -0.02   0.02    -0.00   0.00   0.01
    33   1     0.00   0.02   0.01    -0.03   0.01  -0.01    -0.01  -0.00  -0.00
    34   1     0.00  -0.01   0.01     0.03   0.01   0.01     0.01   0.01   0.00
    35   1     0.00   0.00  -0.01     0.01  -0.02  -0.02     0.00  -0.01   0.00
    36   1     0.09  -0.03   0.28    -0.06   0.03  -0.20    -0.07   0.04  -0.24
    37   1    -0.25  -0.08   0.15     0.18   0.05  -0.11     0.21   0.07  -0.12
                     79                     80                     81
                      A                      A                      A
 Frequencies --   1658.5805              1668.9977              1671.3693
 Red. masses --      1.0784                 1.0770                 1.0763
 Frc consts  --      1.7478                 1.7676                 1.7714
 IR Inten    --      0.4562                29.4404                19.4499
 RamAct Fr= 1--      6.4531                 4.0780                 2.8064
  Dep-P Fr= 1--      0.7500                 0.7493                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8567                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.9219                 0.5823                 0.4009
 AlphaG Fr= 1--      0.0009                -0.0009                 0.0000
 Gamma2 Fr= 1--    -13.8661                 5.5691                 4.4139
 Delta2 Fr= 1--     -5.7260                 0.8559                 0.0314
 Raman1 Fr= 1--      25.813                 16.312                 11.225
 ROA1   Fr= 1--   -1514.380                562.023                424.744
 CID1   Fr= 1--     -58.668                 34.454                 37.838
 Raman2 Fr= 1--      11.062                  6.987                  4.811
 ROA2   Fr= 1--    -286.979                126.811                105.684
 CID2   Fr= 1--     -25.942                 18.149                 21.968
 Raman3 Fr= 1--      22.124                 13.975                  9.622
 ROA3   Fr= 1--   -1514.380                562.023                424.744
 CID3   Fr= 1--     -68.448                 40.217                 44.144
 RC180  Fr= 1--       0.714                  0.713                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.01    -0.00   0.00   0.00     0.00  -0.00   0.01
     2   6     0.00   0.00  -0.01    -0.00   0.00  -0.01     0.00  -0.00  -0.00
     3   7    -0.02   0.02  -0.02    -0.02   0.02  -0.03    -0.00   0.00  -0.00
     4  45    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   7     0.02   0.01   0.02     0.02   0.02   0.02    -0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.01     0.00   0.00   0.01     0.00  -0.00  -0.01
     7   6    -0.00  -0.00  -0.01     0.00   0.00  -0.00     0.00   0.00   0.01
     8   7    -0.00  -0.02  -0.01     0.00   0.01   0.01     0.00   0.03   0.02
     9   7     0.00  -0.02   0.01    -0.00   0.01  -0.01     0.00  -0.03   0.02
    10   7    -0.01   0.01   0.03     0.01  -0.01  -0.03     0.01  -0.01  -0.03
    11   6    -0.01  -0.00   0.01     0.01   0.00  -0.01     0.00   0.00  -0.01
    12   1    -0.01  -0.00   0.02     0.00  -0.01   0.00     0.01  -0.01  -0.02
    13   1     0.01   0.01   0.01     0.00   0.01   0.01    -0.01   0.00  -0.00
    14   1     0.00   0.02  -0.02    -0.02   0.00  -0.01    -0.01  -0.01   0.02
    15   1     0.00  -0.02  -0.02     0.00  -0.00  -0.00    -0.00   0.02   0.01
    16   1     0.00   0.02   0.03     0.02   0.01   0.01    -0.01   0.01   0.02
    17   1    -0.01  -0.02   0.02    -0.00  -0.00   0.00    -0.01  -0.02   0.01
    18   1     0.01  -0.00  -0.02     0.00  -0.01  -0.01     0.01   0.01  -0.02
    19   1    -0.01   0.01  -0.02    -0.01   0.01  -0.01    -0.01  -0.00  -0.00
    20   1     0.03   0.06  -0.23    -0.01  -0.03   0.10     0.06   0.10  -0.34
    21   1    -0.10   0.21  -0.02     0.04  -0.09   0.01    -0.14   0.33  -0.02
    22   1     0.09  -0.00   0.32     0.11  -0.00   0.38     0.00   0.00   0.01
    23   1     0.19  -0.28   0.03     0.23  -0.33   0.04     0.02   0.00  -0.00
    24   1    -0.06  -0.00  -0.26    -0.10  -0.00  -0.36     0.01  -0.00   0.02
    25   1    -0.16  -0.21  -0.03    -0.23  -0.30  -0.04     0.03   0.01   0.00
    26   1    -0.02   0.06   0.22     0.01  -0.04  -0.13     0.05  -0.10  -0.32
    27   1     0.10   0.20   0.01    -0.06  -0.12  -0.01    -0.14  -0.31  -0.02
    28   6     0.01  -0.00  -0.01    -0.01   0.00   0.01     0.00  -0.00  -0.01
    29   7     0.01   0.01  -0.03    -0.01  -0.01   0.03     0.01   0.01  -0.03
    30   1    -0.10  -0.02  -0.32     0.09   0.04   0.28     0.10   0.03   0.32
    31   1     0.27  -0.09  -0.16    -0.23   0.09   0.14    -0.28   0.10   0.17
    32   1     0.01   0.02  -0.01    -0.01  -0.02   0.01     0.01   0.00  -0.01
    33   1     0.02  -0.01   0.00    -0.02   0.01  -0.00     0.01   0.02   0.01
    34   1    -0.02  -0.01  -0.00     0.02   0.01   0.00     0.00  -0.02   0.01
    35   1    -0.01   0.02   0.01     0.00  -0.02  -0.01     0.01   0.00  -0.01
    36   1     0.09  -0.02   0.29    -0.08   0.04  -0.26     0.11  -0.03   0.35
    37   1    -0.25  -0.07   0.15     0.22   0.07  -0.14    -0.30  -0.09   0.18
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3068.8507              3070.7181              3071.1920
 Red. masses --      1.0636                 1.0634                 1.0632
 Frc consts  --      5.9015                 5.9076                 5.9083
 IR Inten    --      5.4920                 5.5694                 5.5354
 RamAct Fr= 1--    243.7425               210.6825               229.4733
  Dep-P Fr= 1--      0.0340                 0.0389                 0.0362
  Dep-U Fr= 1--      0.0658                 0.0748                 0.0699
 Alpha2 Fr= 1--      5.0006                 4.2732                 4.6835
 Beta2  Fr= 1--      2.6737                 2.6272                 2.6737
 AlphaG Fr= 1--     -0.9839                 0.2754                 0.2786
 Gamma2 Fr= 1--     -5.2086                 7.7213                 4.4572
 Delta2 Fr= 1--     -1.4905                 6.8481                 4.8519
 Raman1 Fr= 1--     974.970                842.730                917.893
 ROA1   Fr= 1--    -547.724                960.384                583.152
 CID1   Fr= 1--      -0.562                  1.140                  0.635
 Raman2 Fr= 1--      32.085                 31.527                 32.084
 ROA2   Fr= 1--    -113.082                130.527                 68.157
 CID2   Fr= 1--      -3.525                  4.140                  2.124
 Raman3 Fr= 1--      64.169                 63.053                 64.168
 ROA3   Fr= 1--    -547.724                960.384                583.152
 CID3   Fr= 1--      -8.536                 15.231                  9.088
 RC180  Fr= 1--      -0.868                 -0.850                 -0.860
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.03   0.03
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.04  -0.01  -0.04
     3   7     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     4  45     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.04   0.01  -0.03    -0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.00     0.01  -0.04   0.03    -0.00   0.00  -0.00
     8   7    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     9   7     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    10   7     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   6    -0.04  -0.03  -0.02    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   1     0.01   0.00   0.00    -0.36  -0.03  -0.12     0.00   0.00   0.00
    13   1    -0.01  -0.01   0.01     0.28   0.45  -0.27    -0.00  -0.01   0.00
    14   1     0.00  -0.01  -0.00    -0.13   0.33   0.10     0.00  -0.01  -0.00
    15   1     0.01   0.01  -0.01    -0.29  -0.44   0.27     0.01   0.01  -0.01
    16   1    -0.00  -0.01   0.00    -0.00  -0.01   0.00    -0.17  -0.36   0.12
    17   1    -0.01   0.01   0.01    -0.01   0.01   0.00    -0.29   0.49   0.29
    18   1    -0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.32   0.04  -0.11
    19   1     0.00  -0.01  -0.00     0.00  -0.01  -0.01     0.23  -0.42  -0.25
    20   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.00
    21   1    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    22   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01   0.00
    23   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.01  -0.00  -0.00
    24   1     0.00  -0.00  -0.00     0.00   0.01   0.00     0.00   0.00  -0.00
    25   1    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    26   1     0.00  -0.00   0.00    -0.01  -0.01  -0.00     0.00   0.00   0.00
    27   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    28   6     0.04  -0.02   0.01     0.00  -0.00   0.00     0.00  -0.00  -0.00
    29   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    31   1    -0.00   0.00  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    32   1     0.46  -0.00   0.43     0.00   0.00   0.00    -0.02   0.00  -0.01
    33   1     0.04   0.30  -0.24     0.00   0.00  -0.00    -0.00  -0.01   0.01
    34   1    -0.02   0.26   0.21    -0.00   0.01   0.01    -0.00   0.00   0.00
    35   1    -0.42   0.02  -0.39    -0.02   0.00  -0.02    -0.00   0.00  -0.00
    36   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    37   1     0.00   0.00   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3074.6836              3075.9126              3076.3064
 Red. masses --      1.0604                 1.0604                 1.0604
 Frc consts  --      5.9062                 5.9112                 5.9126
 IR Inten    --      8.4237                 7.5395                 9.6992
 RamAct Fr= 1--     41.9125                37.7682                56.7014
  Dep-P Fr= 1--      0.7348                 0.7482                 0.6973
  Dep-U Fr= 1--      0.8471                 0.8560                 0.8216
 Alpha2 Fr= 1--      0.0109                 0.0012                 0.0522
 Beta2  Fr= 1--      5.9173                 5.3881                 7.7647
 AlphaG Fr= 1--     -0.0023                 0.0005                -0.0037
 Gamma2 Fr= 1--     10.1556                -6.3754                -8.3894
 Delta2 Fr= 1--      6.5453                -5.4371                -6.9050
 Raman1 Fr= 1--     167.650                151.073                226.806
 ROA1   Fr= 1--    1184.386               -786.028              -1026.348
 CID1   Fr= 1--       7.065                 -5.203                 -4.525
 Raman2 Fr= 1--      71.008                 64.657                 93.177
 ROA2   Fr= 1--     191.372               -109.514               -146.107
 CID2   Fr= 1--       2.695                 -1.694                 -1.568
 Raman3 Fr= 1--     142.016                129.313                186.353
 ROA3   Fr= 1--    1184.386               -786.028              -1026.348
 CID3   Fr= 1--       8.340                 -6.078                 -5.508
 RC180  Fr= 1--       0.694                  0.712                  0.643
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01    -0.02  -0.03  -0.04
     2   6    -0.00   0.00   0.00     0.01   0.00  -0.01     0.03   0.01  -0.03
     3   7    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     4  45     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.04  -0.01  -0.03    -0.01   0.00   0.01
     7   6    -0.00   0.00  -0.00    -0.02   0.03  -0.03     0.00  -0.01   0.01
     8   7     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     9   7     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    10   7    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    11   6     0.03   0.03   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    12   1     0.01   0.00   0.00     0.48   0.03   0.15    -0.09  -0.01  -0.03
    13   1    -0.01  -0.01   0.01    -0.22  -0.36   0.22     0.04   0.07  -0.04
    14   1     0.00  -0.00  -0.00    -0.19   0.44   0.14     0.03  -0.08  -0.02
    15   1     0.00   0.00  -0.00    -0.24  -0.37   0.23     0.04   0.07  -0.04
    16   1     0.00   0.01  -0.00    -0.03  -0.07   0.02    -0.19  -0.39   0.12
    17   1     0.01  -0.01  -0.01    -0.04   0.06   0.04    -0.19   0.33   0.20
    18   1     0.01  -0.00   0.00     0.09  -0.01   0.03     0.52  -0.05   0.17
    19   1    -0.01   0.01   0.01    -0.04   0.07   0.04    -0.23   0.40   0.24
    20   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    21   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01
    22   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    23   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    24   1    -0.00  -0.00  -0.00    -0.00   0.01  -0.00    -0.00  -0.00   0.00
    25   1    -0.00  -0.00  -0.00     0.00   0.00  -0.01    -0.00  -0.00   0.00
    26   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    27   1    -0.00   0.00  -0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
    28   6     0.04  -0.04   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    29   7    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    30   1     0.01   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    31   1     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    32   1    -0.35   0.00  -0.32     0.01  -0.00   0.01    -0.00   0.00  -0.00
    33   1    -0.05  -0.37   0.29     0.00   0.01  -0.00    -0.00   0.00  -0.00
    34   1    -0.03   0.40   0.32     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    35   1    -0.39   0.01  -0.36     0.00  -0.00   0.00     0.00  -0.00   0.00
    36   1     0.01  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    37   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3115.5617              3116.3029              3116.5435
 Red. masses --      1.1071                 1.1076                 1.1078
 Frc consts  --      6.3315                 6.3376                 6.3394
 IR Inten    --      8.9964                10.0790                 4.5510
 RamAct Fr= 1--    148.0465               134.0577               157.3091
  Dep-P Fr= 1--      0.4312                 0.5787                 0.2258
  Dep-U Fr= 1--      0.6026                 0.7331                 0.3684
 Alpha2 Fr= 1--      0.9770                 0.4310                 1.9934
 Beta2  Fr= 1--     14.8685                16.3805                 9.6581
 AlphaG Fr= 1--      0.0679                -0.2364                -1.1349
 Gamma2 Fr= 1--    -29.7974                -6.3448                60.2269
 Delta2 Fr= 1--    -20.6382               -21.5650                33.2289
 Raman1 Fr= 1--     592.186                536.231                629.237
 ROA1   Fr= 1--   -3520.970              -1299.183               6845.109
 CID1   Fr= 1--      -5.946                 -2.423                 10.878
 Raman2 Fr= 1--     178.422                196.566                115.897
 ROA2   Fr= 1--    -550.031                 20.245               1179.614
 CID2   Fr= 1--      -3.083                  0.103                 10.178
 Raman3 Fr= 1--     356.844                393.131                231.794
 ROA3   Fr= 1--   -3520.970              -1299.183               6845.109
 CID3   Fr= 1--      -9.867                 -3.305                 29.531
 RC180  Fr= 1--       0.205                  0.466                 -0.263
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.02   0.01  -0.00    -0.06   0.03  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.02   0.00    -0.01  -0.06   0.00
     3   7     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     4  45     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     5   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00  -0.00    -0.00   0.06   0.00     0.00  -0.02  -0.00
     7   6     0.00   0.00   0.00    -0.06  -0.02  -0.00     0.02   0.01   0.00
     8   7    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     9   7     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    10   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    11   6     0.02  -0.04   0.05     0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   1    -0.03  -0.00  -0.01     0.52   0.02   0.18    -0.20  -0.01  -0.07
    13   1    -0.01  -0.02   0.01     0.16   0.26  -0.17    -0.06  -0.10   0.06
    14   1    -0.01   0.03   0.01     0.22  -0.49  -0.17    -0.08   0.19   0.07
    15   1     0.01   0.02  -0.01    -0.17  -0.25   0.16     0.06   0.09  -0.06
    16   1     0.01   0.02  -0.01     0.09   0.19  -0.07     0.25   0.49  -0.17
    17   1    -0.01   0.01   0.01    -0.06   0.10   0.06    -0.16   0.26   0.17
    18   1     0.03  -0.00   0.01     0.19  -0.02   0.07     0.50  -0.04   0.18
    19   1     0.01  -0.01  -0.01     0.06  -0.10  -0.06     0.14  -0.27  -0.16
    20   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.01   0.00
    21   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    22   1    -0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.00  -0.02  -0.00
    23   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    24   1    -0.00  -0.00   0.00     0.00   0.01  -0.00    -0.00  -0.01   0.00
    25   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    26   1    -0.00   0.00  -0.00    -0.01  -0.01   0.00     0.00   0.00  -0.00
    27   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    28   6    -0.02  -0.04  -0.05    -0.00  -0.00  -0.00     0.00   0.00   0.00
    29   7     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    30   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    31   1     0.01  -0.01   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    32   1    -0.27  -0.00  -0.24    -0.01  -0.00  -0.01     0.02   0.00   0.02
    33   1     0.08   0.48  -0.37     0.00   0.02  -0.02    -0.01  -0.03   0.03
    34   1    -0.06   0.47   0.36    -0.00   0.02   0.01     0.00  -0.03  -0.02
    35   1     0.26  -0.02   0.23     0.01  -0.00   0.01    -0.02   0.00  -0.02
    36   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    37   1    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3125.5685              3126.8136              3127.1841
 Red. masses --      1.1102                 1.1101                 1.1101
 Frc consts  --      6.3901                 6.3949                 6.3960
 IR Inten    --      4.5984                 2.6386                 3.6640
 RamAct Fr= 1--     49.9554                55.4947                45.3689
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      7.1363                 7.9276                 6.4813
 AlphaG Fr= 1--      0.0000                 0.0004                 0.0000
 Gamma2 Fr= 1--     29.0257               -35.0034               -28.7847
 Delta2 Fr= 1--      3.3217                -3.5820                -2.8071
 Raman1 Fr= 1--     199.822                221.979                181.475
 ROA1   Fr= 1--    2892.765              -3474.947              -2853.157
 CID1   Fr= 1--      14.477                -15.654                -15.722
 Raman2 Fr= 1--      85.636                 95.131                 77.775
 ROA2   Fr= 1--     670.044               -811.425               -668.376
 CID2   Fr= 1--       7.824                 -8.530                 -8.594
 Raman3 Fr= 1--     171.272                190.262                155.550
 ROA3   Fr= 1--    2892.765              -3474.947              -2853.157
 CID3   Fr= 1--      16.890                -18.264                -18.342
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.01  -0.00  -0.00    -0.06   0.04   0.01
     2   6    -0.00   0.00   0.00     0.00  -0.01  -0.00    -0.00   0.07   0.01
     3   7    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     4  45    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     5   7    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.01  -0.07   0.01    -0.00  -0.01   0.00
     7   6    -0.00  -0.00   0.00    -0.06  -0.03   0.01    -0.00  -0.00   0.00
     8   7     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     9   7    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    10   7     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    11   6    -0.02   0.03  -0.05     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   1     0.02   0.00   0.01     0.46   0.02   0.16     0.04   0.00   0.01
    13   1     0.01   0.01  -0.01     0.23   0.38  -0.24     0.02   0.03  -0.02
    14   1    -0.01   0.02   0.01    -0.19   0.43   0.15    -0.02   0.04   0.01
    15   1     0.01   0.01  -0.01     0.24   0.36  -0.24     0.02   0.03  -0.02
    16   1    -0.01  -0.01   0.00     0.02   0.03  -0.01    -0.20  -0.41   0.14
    17   1     0.01  -0.01  -0.01    -0.02   0.03   0.02     0.22  -0.36  -0.23
    18   1     0.01  -0.00   0.00    -0.04   0.00  -0.01     0.46  -0.04   0.16
    19   1     0.01  -0.01  -0.01    -0.02   0.04   0.02     0.22  -0.41  -0.25
    20   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01   0.01   0.01
    21   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    22   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.02   0.01
    23   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    24   1     0.00  -0.00   0.00    -0.00  -0.02   0.01     0.00  -0.00   0.00
    25   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    26   1     0.00  -0.00   0.00    -0.01  -0.01   0.01    -0.00  -0.00   0.00
    27   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    28   6    -0.03  -0.03  -0.06     0.00   0.00   0.00     0.00   0.00   0.00
    29   7     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    30   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   1    -0.01   0.01  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    32   1     0.36   0.00   0.32    -0.01  -0.00  -0.01    -0.01  -0.00  -0.01
    33   1    -0.07  -0.39   0.30     0.00   0.01  -0.01     0.00   0.01  -0.01
    34   1    -0.05   0.40   0.31     0.00  -0.01  -0.01     0.00  -0.01  -0.01
    35   1     0.37  -0.02   0.33    -0.01   0.00  -0.01    -0.01   0.00  -0.01
    36   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    37   1    -0.01  -0.01  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
                     94                     95                     96
                      A                      A                      A
 Frequencies --   3430.7968              3431.9090              3432.9512
 Red. masses --      1.0521                 1.0524                 1.0525
 Frc consts  --      7.2965                 7.3032                 7.3084
 IR Inten    --     57.2342                43.1794                29.0205
 RamAct Fr= 1--      5.6891                39.9547                32.8301
  Dep-P Fr= 1--      0.7031                 0.2133                 0.0934
  Dep-U Fr= 1--      0.8257                 0.3516                 0.1708
 Alpha2 Fr= 1--      0.0046                 0.5237                 0.5842
 Beta2  Fr= 1--      0.7829                 2.3413                 0.9346
 AlphaG Fr= 1--      0.0013                 0.1345                 0.6180
 Gamma2 Fr= 1--      7.5941                 3.3506                 4.4546
 Delta2 Fr= 1--     -1.2321                 3.8396                -3.0249
 Raman1 Fr= 1--      22.756                159.819                131.321
 ROA1   Fr= 1--     689.607                444.523                330.842
 CID1   Fr= 1--      30.304                  2.781                  2.519
 Raman2 Fr= 1--       9.395                 28.095                 11.215
 ROA2   Fr= 1--     192.116                 49.698                131.109
 CID2   Fr= 1--      20.449                  1.769                 11.691
 Raman3 Fr= 1--      18.790                 56.190                 22.430
 ROA3   Fr= 1--     689.607                444.523                330.842
 CID3   Fr= 1--      36.701                  7.911                 14.750
 RC180  Fr= 1--       0.651                 -0.297                 -0.658
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   7     0.00  -0.00   0.01    -0.01   0.02  -0.02     0.01  -0.02   0.02
     4  45    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   7     0.00   0.00   0.00     0.01   0.01   0.02    -0.00  -0.01  -0.01
     6   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     7   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   7    -0.02  -0.03  -0.03     0.01   0.02   0.02     0.01   0.02   0.01
     9   7    -0.01   0.03  -0.02    -0.01   0.02  -0.02    -0.01   0.01  -0.01
    10   7    -0.00   0.00   0.00     0.00  -0.00  -0.01    -0.01   0.00   0.03
    11   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   1     0.01   0.00   0.00    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    13   1     0.00   0.01  -0.00    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    14   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   1    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    17   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.00
    18   1     0.01  -0.00   0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
    19   1     0.00  -0.01  -0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
    20   1     0.27  -0.38  -0.10     0.25  -0.35  -0.09     0.13  -0.18  -0.05
    21   1    -0.09   0.02   0.44    -0.08   0.02   0.41    -0.04   0.01   0.21
    22   1    -0.03   0.08   0.01     0.12  -0.27  -0.05    -0.16   0.39   0.07
    23   1    -0.00  -0.02  -0.08     0.01   0.06   0.28    -0.01  -0.08  -0.37
    24   1    -0.03  -0.06   0.01    -0.12  -0.25   0.05     0.05   0.10  -0.02
    25   1    -0.00   0.01  -0.06    -0.01   0.06  -0.26     0.00  -0.02   0.09
    26   1     0.32   0.42  -0.11    -0.23  -0.29   0.08    -0.17  -0.22   0.06
    27   1    -0.10  -0.02   0.49     0.07   0.01  -0.35     0.05   0.01  -0.25
    28   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    29   7    -0.00  -0.00   0.00    -0.00  -0.00   0.01     0.00   0.00  -0.02
    30   1     0.03  -0.00  -0.01    -0.07   0.01   0.02     0.36  -0.06  -0.08
    31   1    -0.02   0.00  -0.03     0.04  -0.01   0.07    -0.23   0.05  -0.37
    32   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.01  -0.00  -0.01
    33   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    34   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    35   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    36   1     0.03   0.00  -0.01     0.08   0.01  -0.02    -0.17  -0.02   0.04
    37   1    -0.02  -0.00  -0.03    -0.05  -0.01  -0.08     0.11   0.02   0.17
                     97                     98                     99
                      A                      A                      A
 Frequencies --   3433.1145              3433.9272              3434.9751
 Red. masses --      1.0525                 1.0528                 1.0527
 Frc consts  --      7.3087                 7.3146                 7.3180
 IR Inten    --    113.8432                10.1638                 0.2106
 RamAct Fr= 1--      3.8700                23.2601               421.8470
  Dep-P Fr= 1--      0.1447                 0.7215                 0.0089
  Dep-U Fr= 1--      0.2529                 0.8382                 0.0176
 Alpha2 Fr= 1--      0.0606                 0.0114                 9.1823
 Beta2  Fr= 1--      0.1631                 3.2495                 1.2347
 AlphaG Fr= 1--      0.0788                -0.0019                 0.6365
 Gamma2 Fr= 1--      1.2274                -3.3137               -13.4051
 Delta2 Fr= 1--     -0.5478                -0.4842                -1.0107
 Raman1 Fr= 1--      15.480                 93.040               1687.388
 ROA1   Fr= 1--     100.302               -333.610              -1319.229
 CID1   Fr= 1--       6.479                 -3.586                 -0.782
 Raman2 Fr= 1--       1.957                 38.994                 14.816
 ROA2   Fr= 1--      33.841                -75.656               -313.636
 CID2   Fr= 1--      17.291                 -1.940                -21.169
 Raman3 Fr= 1--       3.914                 77.989                 29.632
 ROA3   Fr= 1--     100.302               -333.610              -1319.229
 CID3   Fr= 1--      25.624                 -4.278                -44.521
 RC180  Fr= 1--      -0.494                  0.676                 -0.965
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   7    -0.01   0.01  -0.01     0.01  -0.02   0.02    -0.01   0.02  -0.02
     4  45     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   7    -0.02  -0.02  -0.02     0.01   0.02   0.02     0.01   0.02   0.02
     6   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   7     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.01  -0.01
     9   7    -0.00   0.01  -0.01     0.00  -0.00   0.00     0.00  -0.01   0.01
    10   7     0.00  -0.00  -0.01     0.01  -0.00  -0.03    -0.01   0.00   0.03
    11   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    14   1    -0.00   0.01   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.00
    15   1     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    18   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   1     0.10  -0.14  -0.03    -0.01   0.02   0.00    -0.09   0.13   0.03
    21   1    -0.03   0.01   0.15     0.00  -0.00  -0.02     0.03  -0.01  -0.13
    22   1     0.10  -0.23  -0.04    -0.13   0.30   0.06     0.12  -0.28  -0.05
    23   1     0.01   0.05   0.22    -0.01  -0.06  -0.29     0.01   0.06   0.26
    24   1     0.20   0.42  -0.08    -0.14  -0.30   0.06    -0.15  -0.30   0.06
    25   1     0.01  -0.09   0.41    -0.01   0.07  -0.30    -0.01   0.06  -0.29
    26   1    -0.01  -0.01   0.00    -0.02  -0.02   0.01     0.09   0.12  -0.03
    27   1     0.00   0.00  -0.02     0.01   0.00  -0.02    -0.03  -0.00   0.12
    28   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    29   7     0.01   0.00  -0.03     0.01   0.00  -0.03     0.01   0.00  -0.03
    30   1    -0.15   0.02   0.04    -0.36   0.06   0.08     0.32  -0.05  -0.07
    31   1     0.10  -0.02   0.15     0.24  -0.05   0.37    -0.21   0.04  -0.32
    32   1     0.00   0.00   0.00     0.00   0.00   0.01    -0.00  -0.00  -0.01
    33   1    -0.00  -0.00   0.00    -0.00  -0.00   0.01     0.00   0.00  -0.00
    34   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    35   1     0.00  -0.00   0.01     0.00  -0.00   0.00     0.00  -0.00   0.01
    36   1    -0.38  -0.04   0.09    -0.32  -0.04   0.07    -0.34  -0.04   0.08
    37   1     0.25   0.04   0.38     0.21   0.03   0.32     0.22   0.03   0.34
                    100                    101                    102
                      A                      A                      A
 Frequencies --   3480.6677              3480.9021              3481.4934
 Red. masses --      1.0931                 1.0930                 1.0929
 Frc consts  --      7.8024                 7.8026                 7.8049
 IR Inten    --      3.8485                27.7264                86.2970
 RamAct Fr= 1--      9.4783                 5.5306                 2.4566
  Dep-P Fr= 1--      0.7491                 0.6902                 0.6862
  Dep-U Fr= 1--      0.8566                 0.8167                 0.8139
 Alpha2 Fr= 1--      0.0001                 0.0058                 0.0028
 Beta2  Fr= 1--      1.3531                 0.7528                 0.3332
 AlphaG Fr= 1--     -0.0002                -0.0205                -0.0047
 Gamma2 Fr= 1--     -9.1033                 2.7488                -2.1315
 Delta2 Fr= 1--      6.0267                 1.9176                -1.0747
 Raman1 Fr= 1--      37.913                 22.122                  9.826
 ROA1   Fr= 1--    -681.061                325.252               -239.016
 CID1   Fr= 1--     -17.964                 14.703                -24.324
 Raman2 Fr= 1--      16.238                  9.033                  3.999
 ROA2   Fr= 1--    -266.693                 50.631                -42.559
 CID2   Fr= 1--     -16.424                  5.605                -10.643
 Raman3 Fr= 1--      32.475                 18.067                  7.998
 ROA3   Fr= 1--    -681.061                325.252               -239.016
 CID3   Fr= 1--     -20.972                 18.003                -29.886
 RC180  Fr= 1--       0.713                  0.633                  0.628
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     3   7     0.01  -0.03  -0.04     0.00  -0.01  -0.01    -0.01   0.02   0.03
     4  45     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     5   7     0.01   0.02  -0.02    -0.01  -0.03   0.03    -0.01  -0.02   0.02
     6   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     8   7    -0.02  -0.02   0.04    -0.02  -0.02   0.03    -0.02  -0.02   0.03
     9   7    -0.01   0.01   0.02     0.03  -0.03  -0.04    -0.01   0.01   0.02
    10   7    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.03   0.00  -0.01
    11   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    12   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    13   1     0.01   0.01  -0.01     0.00   0.01  -0.00     0.00   0.01  -0.00
    14   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    15   1    -0.00  -0.01   0.00     0.01   0.01  -0.01     0.00   0.01  -0.00
    16   1     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1    -0.01   0.01   0.01    -0.00   0.00   0.00     0.00  -0.01  -0.00
    18   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   1     0.00  -0.01  -0.00    -0.01   0.01   0.01     0.00  -0.00  -0.00
    20   1     0.12  -0.17  -0.03    -0.29   0.40   0.08     0.11  -0.16  -0.03
    21   1     0.04  -0.00  -0.21    -0.09   0.01   0.52     0.04  -0.00  -0.22
    22   1    -0.16   0.39   0.05    -0.06   0.15   0.02     0.12  -0.28  -0.04
    23   1     0.02   0.08   0.46     0.01   0.03   0.16    -0.02  -0.06  -0.33
    24   1    -0.11  -0.22   0.03     0.14   0.30  -0.04     0.09   0.19  -0.03
    25   1     0.01  -0.05   0.27    -0.01   0.06  -0.35    -0.01   0.04  -0.24
    26   1     0.25   0.32  -0.06     0.17   0.22  -0.04     0.18   0.23  -0.05
    27   1     0.07   0.00  -0.44     0.05   0.00  -0.30     0.06   0.00  -0.33
    28   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    29   7    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.04  -0.01  -0.01
    30   1     0.04  -0.01  -0.01    -0.04   0.01   0.01     0.26  -0.04  -0.07
    31   1     0.02  -0.00   0.03    -0.02   0.00  -0.03     0.11  -0.03   0.20
    32   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.01   0.00   0.00
    33   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    34   1    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    35   1     0.00   0.00   0.00    -0.00  -0.00   0.00     0.01  -0.00   0.01
    36   1     0.04   0.00  -0.01    -0.01  -0.00   0.00     0.38   0.04  -0.11
    37   1     0.02   0.00   0.03    -0.01  -0.00  -0.01     0.17   0.03   0.29
                    103                    104                    105
                      A                      A                      A
 Frequencies --   3481.9790              3482.5007              3482.6205
 Red. masses --      1.0926                 1.0926                 1.0926
 Frc consts  --      7.8051                 7.8068                 7.8075
 IR Inten    --      2.4113                33.8471                48.2990
 RamAct Fr= 1--     34.6736                57.5175                41.9621
  Dep-P Fr= 1--      0.6091                 0.7496                 0.7493
  Dep-U Fr= 1--      0.7570                 0.8569                 0.8567
 Alpha2 Fr= 1--      0.0900                 0.0004                 0.0005
 Beta2  Fr= 1--      4.3749                 8.2145                 5.9915
 AlphaG Fr= 1--     -0.0068                -0.0265                -0.0261
 Gamma2 Fr= 1--    -68.6805                47.7954                33.8127
 Delta2 Fr= 1--    -19.1156                 5.6671                 3.1966
 Raman1 Fr= 1--     138.695                230.070                167.848
 ROA1   Fr= 1--   -7205.029               4769.701               3348.314
 CID1   Fr= 1--     -51.949                 20.732                 19.948
 Raman2 Fr= 1--      52.499                 98.574                 71.899
 ROA2   Fr= 1--   -1495.407               1101.752                785.933
 CID2   Fr= 1--     -28.485                 11.177                 10.931
 Raman3 Fr= 1--     104.997                197.148                143.797
 ROA3   Fr= 1--   -7205.029               4769.701               3348.314
 CID3   Fr= 1--     -68.621                 24.194                 23.285
 RC180  Fr= 1--       0.514                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   7     0.00  -0.01  -0.02     0.01  -0.03  -0.03    -0.00   0.00   0.00
     4  45     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   7    -0.01  -0.02   0.03    -0.00  -0.01   0.01     0.01   0.03  -0.03
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     8   7     0.01   0.01  -0.01     0.02   0.02  -0.03     0.00   0.00  -0.00
     9   7    -0.01   0.01   0.02    -0.00  -0.00   0.00     0.02  -0.02  -0.03
    10   7    -0.05   0.01  -0.02    -0.00   0.00  -0.00    -0.05   0.01  -0.02
    11   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    12   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   1    -0.00  -0.00   0.00    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    14   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   1     0.00   0.01  -0.00     0.00   0.00  -0.00    -0.01  -0.01   0.01
    16   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1    -0.00   0.00   0.00    -0.01   0.01   0.00     0.00  -0.00  -0.00
    18   1     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
    20   1     0.09  -0.13  -0.03     0.00   0.00   0.00    -0.18   0.26   0.05
    21   1     0.03  -0.00  -0.18     0.00  -0.00  -0.01    -0.06   0.00   0.35
    22   1    -0.07   0.17   0.02    -0.13   0.30   0.04     0.02  -0.05  -0.01
    23   1     0.01   0.04   0.21     0.02   0.06   0.37    -0.00  -0.01  -0.06
    24   1     0.12   0.26  -0.04     0.06   0.12  -0.02    -0.15  -0.31   0.04
    25   1    -0.01   0.05  -0.32    -0.01   0.02  -0.14     0.02  -0.07   0.40
    26   1    -0.07  -0.09   0.02    -0.19  -0.24   0.05    -0.03  -0.04   0.01
    27   1    -0.02  -0.00   0.12    -0.06  -0.00   0.34    -0.01   0.00   0.05
    28   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    29   7     0.04   0.00   0.01    -0.05  -0.01  -0.02    -0.01  -0.00  -0.00
    30   1     0.47  -0.07  -0.13     0.03  -0.00  -0.01     0.48  -0.07  -0.14
    31   1     0.20  -0.05   0.35     0.01  -0.00   0.02     0.21  -0.05   0.38
    32   1     0.01   0.00   0.01     0.00   0.00   0.00     0.01   0.00   0.01
    33   1     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    34   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    35   1    -0.01   0.00  -0.01     0.01  -0.00   0.01     0.00  -0.00   0.00
    36   1    -0.35  -0.04   0.10     0.50   0.05  -0.14     0.10   0.01  -0.03
    37   1    -0.15  -0.03  -0.26     0.23   0.04   0.39     0.04   0.01   0.07

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  7 and mass  14.00307
 Atom     4 has atomic number 45 and mass 102.90480
 Atom     5 has atomic number  7 and mass  14.00307
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  7 and mass  14.00307
 Atom     9 has atomic number  7 and mass  14.00307
 Atom    10 has atomic number  7 and mass  14.00307
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  6 and mass  12.00000
 Atom    29 has atomic number  7 and mass  14.00307
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Atom    34 has atomic number  1 and mass   1.00783
 Atom    35 has atomic number  1 and mass   1.00783
 Atom    36 has atomic number  1 and mass   1.00783
 Atom    37 has atomic number  1 and mass   1.00783
 Molecular mass:   283.11104 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  2573.971562610.576283843.64264
           X            1.00000  -0.00052  -0.00033
           Y            0.00052   1.00000   0.00001
           Z            0.00033  -0.00001   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.03365     0.03318     0.02253
 Rotational constants (GHZ):           0.70115     0.69132     0.46954
 Zero-point vibrational energy     925981.6 (Joules/Mol)
                                  221.31492 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    121.13   126.52   146.45   207.96   208.88
          (Kelvin)            234.63   309.72   313.44   318.79   359.51
                              417.78   435.00   441.07   474.88   477.00
                              576.66   578.43   581.77   662.68   667.75
                              724.59   768.36   782.28   804.18   979.22
                              987.22  1028.71  1068.34  1072.44  1104.84
                             1246.32  1246.42  1248.31  1250.17  1255.52
                             1257.55  1412.45  1414.40  1415.03  1436.63
                             1439.93  1451.24  1508.14  1509.04  1511.21
                             1599.42  1609.80  1610.51  1684.28  1686.57
                             1711.83  1760.29  1764.39  1790.93  1859.32
                             1859.77  1866.53  1915.67  1918.93  1928.42
                             1938.76  1940.42  1943.00  2020.98  2022.02
                             2024.24  2076.37  2078.80  2079.57  2162.32
                             2163.14  2163.80  2164.18  2164.71  2164.86
                             2359.50  2383.33  2383.58  2386.33  2401.32
                             2404.73  4415.39  4418.08  4418.76  4423.78
                             4425.55  4426.12  4482.60  4483.66  4484.01
                             4497.00  4498.79  4499.32  4936.15  4937.75
                             4939.25  4939.49  4940.66  4942.16  5007.90
                             5008.24  5009.09  5009.79  5010.54  5010.71
 
 Zero-point correction=                           0.352688 (Hartree/Particle)
 Thermal correction to Energy=                    0.367694
 Thermal correction to Enthalpy=                  0.368638
 Thermal correction to Gibbs Free Energy=         0.312213
 Sum of electronic and zero-point Energies=           -681.282782
 Sum of electronic and thermal Energies=              -681.267775
 Sum of electronic and thermal Enthalpies=            -681.266831
 Sum of electronic and thermal Free Energies=         -681.323256
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  230.732             60.537            118.757
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.820
 Rotational               0.889              2.981             31.624
 Vibrational            228.954             54.575             44.313
 Vibration     1          0.601              1.960              3.791
 Vibration     2          0.601              1.958              3.706
 Vibration     3          0.604              1.948              3.420
 Vibration     4          0.616              1.909              2.743
 Vibration     5          0.617              1.908              2.734
 Vibration     6          0.623              1.888              2.514
 Vibration     7          0.645              1.818              1.999
 Vibration     8          0.646              1.814              1.977
 Vibration     9          0.648              1.808              1.946
 Vibration    10          0.663              1.763              1.731
 Vibration    11          0.686              1.692              1.472
 Vibration    12          0.694              1.669              1.404
 Vibration    13          0.697              1.661              1.381
 Vibration    14          0.713              1.615              1.260
 Vibration    15          0.714              1.613              1.253
 Vibration    16          0.767              1.468              0.960
 Vibration    17          0.768              1.466              0.955
 Vibration    18          0.770              1.461              0.947
 Vibration    19          0.818              1.337              0.764
 Vibration    20          0.822              1.330              0.754
 Vibration    21          0.859              1.242              0.649
 Vibration    22          0.889              1.175              0.578
 Vibration    23          0.899              1.153              0.557
 Vibration    24          0.915              1.120              0.526
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.246609-143       -143.607991       -330.669620
 Total V=0       0.413979D+19         18.616978         42.867176
 Vib (Bot)       0.723990-158       -158.140268       -364.131423
 Vib (Bot)    1  0.244454D+01          0.388197          0.893857
 Vib (Bot)    2  0.233900D+01          0.369030          0.849723
 Vib (Bot)    3  0.201551D+01          0.304384          0.700871
 Vib (Bot)    4  0.140501D+01          0.147681          0.340047
 Vib (Bot)    5  0.139859D+01          0.145690          0.335465
 Vib (Bot)    6  0.123851D+01          0.092899          0.213909
 Vib (Bot)    7  0.920700D+00         -0.035882         -0.082621
 Vib (Bot)    8  0.908802D+00         -0.041531         -0.095628
 Vib (Bot)    9  0.892156D+00         -0.049559         -0.114114
 Vib (Bot)   10  0.781136D+00         -0.107274         -0.247006
 Vib (Bot)   11  0.658450D+00         -0.181477         -0.417866
 Vib (Bot)   12  0.628179D+00         -0.201916         -0.464930
 Vib (Bot)   13  0.618056D+00         -0.208972         -0.481176
 Vib (Bot)   14  0.566075D+00         -0.247126         -0.569028
 Vib (Bot)   15  0.563059D+00         -0.249446         -0.574371
 Vib (Bot)   16  0.444447D+00         -0.352180         -0.810925
 Vib (Bot)   17  0.442681D+00         -0.353909         -0.814906
 Vib (Bot)   18  0.439390D+00         -0.357150         -0.822369
 Vib (Bot)   19  0.369108D+00         -0.432847         -0.996667
 Vib (Bot)   20  0.365231D+00         -0.437432         -1.007225
 Vib (Bot)   21  0.325296D+00         -0.487721         -1.123019
 Vib (Bot)   22  0.298346D+00         -0.525279         -1.209500
 Vib (Bot)   23  0.290369D+00         -0.537050         -1.236604
 Vib (Bot)   24  0.278359D+00         -0.555395         -1.278844
 Vib (V=0)       0.121535D+05          4.084702          9.405373
 Vib (V=0)    1  0.299515D+01          0.476419          1.096994
 Vib (V=0)    2  0.289184D+01          0.461175          1.061894
 Vib (V=0)    3  0.257660D+01          0.411047          0.946471
 Vib (V=0)    4  0.199133D+01          0.299143          0.688803
 Vib (V=0)    5  0.198528D+01          0.297822          0.685760
 Vib (V=0)    6  0.183563D+01          0.263785          0.607387
 Vib (V=0)    7  0.154771D+01          0.189689          0.436774
 Vib (V=0)    8  0.153727D+01          0.186749          0.430005
 Vib (V=0)    9  0.152271D+01          0.182618          0.420494
 Vib (V=0)   10  0.142746D+01          0.154562          0.355893
 Vib (V=0)   11  0.132677D+01          0.122797          0.282751
 Vib (V=0)   12  0.130288D+01          0.114903          0.264574
 Vib (V=0)   13  0.129498D+01          0.112263          0.258495
 Vib (V=0)   14  0.125528D+01          0.098739          0.227355
 Vib (V=0)   15  0.125302D+01          0.097957          0.225555
 Vib (V=0)   16  0.116898D+01          0.067807          0.156131
 Vib (V=0)   17  0.116781D+01          0.067371          0.155128
 Vib (V=0)   18  0.116563D+01          0.066561          0.153262
 Vib (V=0)   19  0.112148D+01          0.049792          0.114651
 Vib (V=0)   20  0.111919D+01          0.048903          0.112603
 Vib (V=0)   21  0.109650D+01          0.040010          0.092127
 Vib (V=0)   22  0.108225D+01          0.034326          0.079039
 Vib (V=0)   23  0.107820D+01          0.032699          0.075292
 Vib (V=0)   24  0.107226D+01          0.030301          0.069770
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.187236D+09          8.272389         19.047880
 Rotational      0.181923D+07          6.259887         14.413923
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000006088    0.000012393   -0.000029127
      2        6          -0.000010412    0.000020222   -0.000034694
      3        7           0.000015876    0.000014806   -0.000008825
      4       45          -0.000147600    0.000110840    0.000102558
      5        7           0.000059605   -0.000019709   -0.000018586
      6        6           0.000014122   -0.000007460    0.000008579
      7        6           0.000002758    0.000001907   -0.000008789
      8        7           0.000029479   -0.000028418   -0.000008724
      9        7          -0.000000888   -0.000028104   -0.000013477
     10        7           0.000010204   -0.000014395    0.000052549
     11        6          -0.000007777   -0.000026181   -0.000004356
     12        1           0.000001921    0.000000267   -0.000006840
     13        1           0.000000492   -0.000007520    0.000003449
     14        1          -0.000002219    0.000001846   -0.000003140
     15        1          -0.000004731    0.000006858    0.000010442
     16        1           0.000002366   -0.000000071    0.000004905
     17        1          -0.000008382    0.000001925    0.000022934
     18        1          -0.000001403   -0.000000853    0.000006386
     19        1          -0.000012893    0.000022904    0.000006771
     20        1           0.000034521    0.000012632    0.000013881
     21        1           0.000013770   -0.000002426    0.000003623
     22        1           0.000008119    0.000021941   -0.000013458
     23        1          -0.000012768   -0.000006964   -0.000017925
     24        1           0.000008942   -0.000011910   -0.000009158
     25        1          -0.000000027   -0.000006176   -0.000006194
     26        1           0.000070267   -0.000031160    0.000022512
     27        1           0.000016582    0.000000349    0.000004700
     28        6           0.000000779   -0.000008409   -0.000004398
     29        7          -0.000017702    0.000033792   -0.000003405
     30        1          -0.000007599   -0.000007372   -0.000002012
     31        1          -0.000018064   -0.000004230   -0.000029566
     32        1          -0.000016680   -0.000003441   -0.000034098
     33        1          -0.000002897   -0.000000294   -0.000001814
     34        1           0.000001088   -0.000001170    0.000000741
     35        1          -0.000004516   -0.000015381    0.000006992
     36        1          -0.000001203   -0.000031990   -0.000012591
     37        1          -0.000007043    0.000000951    0.000000152
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000147600 RMS     0.000026321
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.158805D+03 -0.492782D-02 -0.461940D-01
      2  -0.492782D-02  0.157539D+03 -0.260618D-03
      3  -0.461940D-01 -0.260618D-03  0.127262D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.359089D+01  0.115889D+00  0.228090D+01
      2   0.683016D-01  0.887835D+00 -0.427007D-01
      3   0.272538D+01 -0.100430D+00 -0.174925D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.669732D+01 -0.103679D+03 -0.241178D+00
      2   0.683787D+01  0.110515D+03  0.222387D+00
      3  -0.140549D+00 -0.683634D+01  0.187914D-01
      4  -0.100745D+03  0.688909D+01 -0.547274D+01
      5  -0.202846D+00  0.111270D+01 -0.248864D+00
      6  -0.100436D+02  0.182474D+00 -0.104905D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.832387D+01  0.962555D+00  0.406472D+01 -0.613484D+00 -0.273072D+01
      2   0.962555D+00 -0.243107D+01  0.434198D-01 -0.273072D+01  0.702523D+00
      3   0.406472D+01  0.434198D-01  0.492168D+00 -0.521655D+00  0.219761D+01
                 6             7             8             9            10 
      1  -0.521655D+00  0.303943D+01 -0.373726D+00  0.526802D+00 -0.864496D+00
      2   0.219761D+01 -0.373726D+00  0.161702D+01  0.112413D+01  0.112031D+01
      3   0.975266D+00  0.526802D+00  0.112413D+01 -0.183983D+00 -0.250625D+01
                11            12            13            14            15 
      1   0.112031D+01 -0.250625D+01  0.232260D+01  0.547556D+01 -0.899309D+00
      2   0.429972D+01 -0.275943D+00  0.547556D+01  0.281177D+01 -0.351336D+01
      3  -0.275943D+00  0.854055D+00 -0.899309D+00 -0.351336D+01 -0.255603D+00
                16            17            18            19            20 
      1  -0.168052D+01 -0.335076D+00  0.107964D+01 -0.298432D+01 -0.411014D+01
      2  -0.335076D+00 -0.277690D+01 -0.268877D+00 -0.411014D+01 -0.625585D+01
      3   0.107964D+01 -0.268877D+00  0.254352D+00  0.334892D+01  0.247895D+01
                21            22            23            24            25 
      1   0.334892D+01 -0.184911D+01 -0.415394D+01  0.127190D+01  0.181132D+01
      2   0.247895D+01 -0.415394D+01 -0.287606D+01  0.269115D+01  0.114529D+01
      3  -0.126027D+01  0.127190D+01  0.269115D+01 -0.152135D+01 -0.104954D+01
                26            27            28            29            30 
      1   0.114529D+01 -0.104954D+01  0.953390D-01  0.177107D+01 -0.173752D-03
      2   0.282671D+01 -0.182319D+01  0.177107D+01 -0.142428D+00 -0.153116D+01
      3  -0.182319D+01 -0.154416D+01 -0.173752D-03 -0.153116D+01  0.640006D-03
                31            32            33            34            35 
      1   0.166067D+01 -0.123196D+00  0.176784D+01 -0.824304D-02 -0.683375D-01
      2  -0.123196D+00 -0.210902D+01 -0.138931D-02 -0.683375D-01  0.159675D-02
      3   0.176784D+01 -0.138931D-02  0.238954D+00  0.827252D-03  0.859601D-01
                36            37            38            39            40 
      1   0.827252D-03  0.255925D+01 -0.376519D+01 -0.317850D+01 -0.159575D+01
      2   0.859601D-01 -0.376519D+01  0.646222D+01  0.249597D+01  0.425802D+01
      3  -0.418577D-02 -0.317850D+01  0.249597D+01  0.119382D+01  0.128558D+01
                41            42            43            44            45 
      1   0.425802D+01  0.128558D+01 -0.172100D+01  0.109329D+01  0.966125D+00
      2  -0.352467D+01 -0.285876D+01  0.109329D+01 -0.293109D+01 -0.185731D+01
      3  -0.285876D+01 -0.156610D+01  0.966125D+00 -0.185731D+01  0.154698D+01
                46            47            48            49            50 
      1   0.104440D+01  0.657998D+00  0.245463D+01  0.180726D+01 -0.546497D+01
      2   0.657998D+00 -0.423729D+01 -0.227067D+00 -0.546497D+01  0.348186D+01
      3   0.245463D+01 -0.227067D+00 -0.867328D+00 -0.848983D+00  0.356068D+01
                51            52            53            54            55 
      1  -0.848983D+00  0.165152D+01 -0.280860D+00 -0.108961D+01 -0.823793D+01
      2   0.356068D+01 -0.280860D+00  0.280296D+01 -0.230267D+00  0.153704D+01
      3  -0.224425D+00 -0.108961D+01 -0.230267D+00 -0.250679D+00 -0.407727D+01
                56            57            58            59            60 
      1   0.153704D+01 -0.407727D+01 -0.304527D-01  0.271225D+01 -0.443958D+00
      2   0.234136D+01  0.123105D+00  0.271225D+01  0.361031D+00 -0.217820D+01
      3   0.123105D+00 -0.443762D+00 -0.443958D+00 -0.217820D+01  0.997221D+00
                61            62            63            64            65 
      1  -0.305941D+01 -0.313287D+00 -0.472375D+00  0.979970D+01 -0.155529D+01
      2  -0.313287D+00 -0.158614D+01  0.114906D+01 -0.155529D+01 -0.121534D+01
      3  -0.472375D+00  0.114906D+01  0.182015D+00  0.479655D+01 -0.573851D+00
                66            67            68            69            70 
      1   0.479655D+01 -0.457230D+01 -0.269523D+00 -0.186300D+01  0.370415D+01
      2  -0.573851D+00 -0.269523D+00 -0.730963D+00  0.168459D+01  0.499232D-01
      3   0.216903D+01 -0.186300D+01  0.168459D+01 -0.604137D+00  0.219026D+01
                71            72            73            74            75 
      1   0.499232D-01  0.219026D+01 -0.100815D+02 -0.105901D+01 -0.488972D+01
      2   0.110548D+01 -0.165585D+00 -0.105901D+01  0.129888D+01 -0.436180D+00
      3  -0.165585D+00 -0.152260D+01 -0.488972D+01 -0.436180D+00 -0.218892D+01
                76            77            78            79            80 
      1  -0.411443D+01  0.481753D+00 -0.172908D+01 -0.368705D+01  0.162101D+00
      2   0.481753D+00 -0.807246D+00 -0.158710D+01  0.162101D+00 -0.111467D+01
      3  -0.172908D+01 -0.158710D+01 -0.508800D+00 -0.219297D+01 -0.722616D-01
                81            82            83            84            85 
      1  -0.219297D+01 -0.299884D+00  0.168309D+01  0.796466D+00  0.247646D+01
      2  -0.722616D-01  0.168309D+01  0.169664D+01 -0.113050D+01  0.438296D+01
      3   0.152489D+01  0.796466D+00 -0.113050D+01  0.131548D+01 -0.184665D+01
                86            87            88            89            90 
      1   0.438296D+01 -0.184665D+01  0.222886D+00 -0.971143D+00  0.215630D+01
      2   0.883119D+01 -0.497307D+01 -0.971143D+00 -0.278831D+01  0.103011D+01
      3  -0.497307D+01  0.122561D+01  0.215630D+01  0.103011D+01  0.638481D+00
                91            92            93            94            95 
      1  -0.147347D+01 -0.379495D+00 -0.224712D+01 -0.668728D+00 -0.215175D+01
      2  -0.379495D+00 -0.434271D+00  0.526760D+00 -0.215175D+01 -0.466103D+01
      3  -0.224712D+01  0.526760D+00 -0.164856D+01  0.565561D+00  0.458907D+01
                96            97            98            99           100 
      1   0.565561D+00 -0.272293D+01  0.103736D+01 -0.206788D+01  0.110525D+02
      2   0.458907D+01  0.103736D+01  0.592612D+01 -0.178437D+01 -0.218887D+01
      3  -0.965677D+00 -0.206788D+01 -0.178437D+01  0.208373D+00  0.326524D+01
               101           102           103           104           105 
      1  -0.218887D+01  0.326524D+01  0.134988D+00  0.100518D+01  0.282501D+00
      2   0.143896D+01 -0.565648D+00  0.100518D+01 -0.807093D+00  0.696406D+00
      3  -0.565648D+00  0.220035D+01  0.282501D+00  0.696406D+00 -0.215153D+00
               106           107           108           109           110 
      1   0.307905D+01 -0.588120D+00  0.244897D+01 -0.475459D+00 -0.736588D+00
      2  -0.588120D+00  0.656518D+00 -0.750742D+00 -0.736588D+00 -0.145115D+01
      3   0.244897D+01 -0.750742D+00  0.165545D+01  0.958379D+00  0.540247D+00
               111           112           113           114           115 
      1   0.958379D+00 -0.113266D+01 -0.130034D+00  0.515948D-01  0.129169D+01
      2   0.540247D+00 -0.130034D+00 -0.441748D+01  0.211113D+01 -0.254355D+00
      3  -0.899654D+00  0.515948D-01  0.211113D+01 -0.223485D+01  0.691255D-01
               116           117           118           119           120 
      1  -0.254355D+00  0.691255D-01  0.364103D+01 -0.254239D+01 -0.123567D+01
      2   0.193606D+01 -0.172907D+01 -0.254239D+01  0.268769D+01  0.623677D+00
      3  -0.172907D+01  0.226891D+01 -0.123567D+01  0.623677D+00  0.110923D+01
               121           122           123           124           125 
      1  -0.406096D+01  0.461847D+01  0.143338D+01 -0.150435D+01  0.120413D+01
      2   0.461847D+01 -0.702461D+01 -0.244642D+01  0.120413D+01 -0.194658D+01
      3   0.143338D+01 -0.244642D+01 -0.173571D+01  0.165512D+01 -0.171879D+01
               126           127           128           129           130 
      1   0.165512D+01  0.317893D+01  0.877341D+00 -0.165804D+01  0.223807D+01
      2  -0.171879D+01  0.877341D+00  0.119450D+01 -0.402318D+00  0.136802D+01
      3  -0.143029D+01 -0.165804D+01 -0.402318D+00  0.158692D+01 -0.847421D+00
               131           132           133           134           135 
      1   0.136802D+01 -0.847421D+00 -0.205121D+01 -0.105571D+00  0.154144D+01
      2   0.194574D+01 -0.136173D+01 -0.105571D+00 -0.120630D+01  0.708896D+00
      3  -0.136173D+01  0.173734D+01  0.154144D+01  0.708896D+00 -0.216832D+01
               136           137           138           139           140 
      1  -0.405196D+01 -0.269346D+01  0.132848D+01 -0.429656D+01 -0.461627D+01
      2  -0.269346D+01 -0.275215D+01  0.673188D+00 -0.461627D+01 -0.649958D+01
      3   0.132848D+01  0.673188D+00 -0.118403D+01  0.148386D+01  0.235602D+01
               141           142           143           144           145 
      1   0.148386D+01  0.161406D+01  0.122172D+01 -0.173059D+01 -0.301539D+01
      2   0.235602D+01  0.122172D+01  0.184355D+01 -0.164777D+01  0.899862D+00
      3  -0.168786D+01 -0.173059D+01 -0.164777D+01  0.143328D+01  0.160333D+01
               146           147           148           149           150 
      1   0.899862D+00  0.160333D+01  0.225680D+01 -0.141889D+01 -0.858031D+00
      2  -0.118753D+01 -0.412504D+00 -0.141889D+01  0.212342D+01  0.141651D+01
      3  -0.412504D+00 -0.150951D+01 -0.858031D+00  0.141651D+01  0.180318D+01
               151           152           153           154           155 
      1   0.204103D+01 -0.140411D+00 -0.150727D+01 -0.112078D+02 -0.181441D+01
      2  -0.140411D+00  0.121647D+01  0.773787D+00 -0.181441D+01 -0.129877D+01
      3  -0.150727D+01  0.773787D+00  0.216088D+01 -0.327504D+01 -0.456335D+00
               156           157           158           159           160 
      1  -0.327504D+01  0.525694D+00 -0.965770D+00  0.392110D+00 -0.313277D+01
      2  -0.456335D+00 -0.965770D+00 -0.665888D+00 -0.689948D+00 -0.484517D+00
      3  -0.220972D+01  0.392110D+00 -0.689948D+00 -0.121182D+00 -0.248292D+01
               161           162           163           164           165 
      1  -0.484517D+00 -0.248292D+01  0.364533D+00 -0.693466D+00 -0.935333D+00
      2  -0.612072D+00 -0.646063D+00 -0.693466D+00  0.132336D+01  0.489666D+00
      3  -0.646063D+00 -0.165859D+01 -0.935333D+00  0.489666D+00  0.802111D+00
               166           167           168           169           170 
      1  -0.115381D+01  0.184382D-01  0.102180D-02 -0.131722D+01 -0.280638D+00
      2   0.184382D-01 -0.448941D+01 -0.213370D+01 -0.280638D+00 -0.191146D+01
      3   0.102180D-02 -0.213370D+01 -0.227024D+01 -0.143383D+00 -0.172286D+01
               171           172           173           174           175 
      1  -0.143383D+00 -0.253571D+01  0.167573D+01 -0.330420D-02  0.379532D+01
      2  -0.172286D+01  0.167573D+01 -0.228620D+01  0.401923D+00 -0.130187D+01
      3  -0.226417D+01 -0.330420D-02  0.401923D+00 -0.501528D+00  0.148454D+01
               176           177           178           179           180 
      1  -0.130187D+01  0.148454D+01  0.177092D+01  0.492292D+00  0.292757D+00
      2   0.342796D+01 -0.188046D+00  0.492292D+00  0.172399D+00  0.672245D+00
      3  -0.188046D+00  0.130485D+01  0.292757D+00  0.672245D+00 -0.201333D+00
               181           182           183           184           185 
      1   0.145371D+01  0.360615D+00  0.234463D+00 -0.128811D+00 -0.678087D+00
      2   0.360615D+00 -0.551550D+00  0.406903D-01 -0.678087D+00  0.140950D+00
      3   0.234463D+00  0.406903D-01  0.748500D+00  0.607342D-02 -0.767005D+00
               186           187           188           189           190 
      1   0.607342D-02 -0.213559D+01 -0.251477D+00 -0.150773D+01  0.154733D+01
      2  -0.767005D+00 -0.251477D+00 -0.112346D+01  0.641121D+00  0.487588D-01
      3   0.112957D+00 -0.150773D+01  0.641121D+00 -0.718815D+01 -0.645817D+00
               191           192           193           194           195 
      1   0.487588D-01 -0.645817D+00 -0.196939D+01  0.695081D+00  0.436798D-02
      2   0.219309D+01 -0.106047D+01  0.695081D+00 -0.611137D+01  0.102726D+01
      3  -0.106047D+01  0.778323D+00  0.436798D-02  0.102726D+01 -0.118153D+01
               196           197           198           199           200 
      1  -0.997715D+00 -0.950474D+00  0.661114D+00 -0.361222D+00  0.197832D+00
      2  -0.950474D+00 -0.796470D+00 -0.177440D+00  0.197832D+00  0.721066D+00
      3   0.661114D+00 -0.177440D+00  0.290931D+00  0.457931D+00 -0.358515D+00
               201           202           203           204           205 
      1   0.457931D+00  0.614561D+00  0.113554D+01 -0.475872D+00  0.159410D+01
      2  -0.358515D+00  0.113554D+01  0.216108D+00  0.898167D-01  0.585989D+00
      3   0.278017D+00 -0.475872D+00  0.898167D-01  0.629768D+00 -0.405515D+00
               206           207           208           209           210 
      1   0.585989D+00 -0.405515D+00 -0.163044D+01 -0.199160D-01  0.596259D+00
      2   0.157100D+01 -0.149752D+01 -0.199160D-01 -0.245917D+01 -0.112816D+01
      3  -0.149752D+01  0.704100D+01  0.596259D+00 -0.112816D+01 -0.827695D+00
               211           212           213           214           215 
      1  -0.196784D+01 -0.876671D+00 -0.663372D-01  0.918515D+00 -0.953441D+00
      2  -0.876671D+00 -0.593836D+01 -0.968311D+00 -0.953441D+00  0.890585D+00
      3  -0.663372D-01 -0.968311D+00 -0.114298D+01 -0.668399D+00 -0.146587D+00
               216           217           218           219           220 
      1  -0.668399D+00  0.397152D+00  0.986524D-01 -0.493890D+00  0.493712D+00
      2  -0.146587D+00  0.986524D-01 -0.722619D+00 -0.341168D+00 -0.115286D+01
      3  -0.285725D+00 -0.493890D+00 -0.341168D+00 -0.253080D+00 -0.456068D+00
               221           222           223           224           225 
      1  -0.115286D+01 -0.456068D+00 -0.154328D+01  0.586257D+00  0.336259D+00
      2   0.342949D+00 -0.561760D-01  0.586257D+00 -0.162594D+01 -0.152309D+01
      3  -0.561760D-01  0.631004D+00  0.336259D+00 -0.152309D+01 -0.703841D+01
               226           227           228           229           230 
      1   0.283522D+01  0.171226D+01  0.808618D-01  0.378232D+01  0.120391D+01
      2   0.171226D+01  0.228258D+01  0.407525D+00  0.120391D+01  0.323273D+01
      3   0.808618D-01  0.407525D+00  0.553777D+00  0.148776D+01  0.103573D+00
               231           232           233           234           235 
      1   0.148776D+01 -0.172487D+01  0.561067D+00 -0.264601D+00 -0.141735D+01
      2   0.103573D+00  0.561067D+00 -0.218772D+00  0.684508D+00  0.474497D+00
      3   0.128243D+01 -0.264601D+00  0.684508D+00  0.200950D+00 -0.229596D+00
               236           237           238           239           240 
      1   0.474497D+00 -0.229596D+00 -0.101361D-01  0.667118D+00  0.477924D-01
      2   0.521127D+00  0.831373D-01  0.667118D+00  0.594318D-01  0.762428D+00
      3   0.831373D-01 -0.743463D+00  0.477924D-01  0.762428D+00  0.145042D+00
               241           242           243           244           245 
      1   0.211056D+01 -0.294456D+00  0.153322D+01  0.141754D+01 -0.337768D+00
      2  -0.294456D+00  0.114694D+01  0.575218D+00 -0.337768D+00  0.255185D+00
      3   0.153322D+01  0.575218D+00  0.718460D+01  0.228311D+01  0.220154D+00
               246           247           248           249           250 
      1   0.228311D+01 -0.549125D+00  0.198437D+01  0.261898D+00  0.279770D+01
      2   0.220154D+00  0.198437D+01 -0.486091D+01 -0.462285D+01  0.649802D+00
      3   0.160332D+01  0.261898D+00 -0.462285D+01 -0.103548D+01  0.198555D+01
               251           252           253           254           255 
      1   0.649802D+00  0.198555D+01  0.539051D+00  0.139577D+01 -0.923696D+00
      2  -0.600375D+01 -0.187152D+01  0.139577D+01 -0.142411D+01 -0.862469D+00
      3  -0.187152D+01 -0.208104D+00 -0.923696D+00 -0.862469D+00 -0.125626D+01
               256           257           258           259           260 
      1   0.207458D+01 -0.414485D+01 -0.158217D+01 -0.305014D+00 -0.831215D+00
      2  -0.414485D+01  0.927026D+01  0.508685D+01 -0.831215D+00  0.286893D+01
      3  -0.158217D+01  0.508685D+01  0.127771D+01 -0.210714D+01  0.112153D+01
               261           262           263           264           265 
      1  -0.210714D+01  0.535388D+01  0.788314D+00 -0.255627D+01 -0.252094D-01
      2   0.112153D+01  0.788314D+00  0.267198D+01 -0.673714D+00  0.175261D+00
      3  -0.638450D+00 -0.255627D+01 -0.673714D+00  0.209176D+01  0.418002D+00
               266           267           268           269           270 
      1   0.175261D+00  0.418002D+00 -0.164094D+01  0.180230D+00  0.113304D+01
      2  -0.107028D+01  0.629692D+00  0.180230D+00  0.403465D+00  0.228643D-01
      3   0.629692D+00 -0.413587D+00  0.113304D+01  0.228643D-01 -0.181967D+01
               271           272           273           274           275 
      1  -0.493829D+00 -0.607861D+00 -0.672330D+00  0.904308D-01 -0.869390D+00
      2  -0.607861D+00 -0.250026D+01  0.113429D+01 -0.869390D+00 -0.174532D+00
      3  -0.672330D+00  0.113429D+01 -0.208890D+01  0.412955D+00 -0.195364D+00
               276           277           278           279           280 
      1   0.412955D+00 -0.110956D+01 -0.123867D+00 -0.432496D+00  0.419398D+01
      2  -0.195364D+00 -0.123867D+00 -0.175608D+01  0.134779D+01  0.122326D+01
      3   0.494808D+00 -0.432496D+00  0.134779D+01 -0.569671D+01  0.156984D+01
               281           282           283           284           285 
      1   0.122326D+01  0.156984D+01  0.509396D+00  0.121992D+01  0.992405D-01
      2   0.226191D+01  0.383097D+00  0.121992D+01  0.928997D+00  0.272553D+00
      3   0.383097D+00  0.151243D+01  0.992405D-01  0.272553D+00  0.289058D+00
               286           287           288           289           290 
      1   0.267039D+01  0.520142D+00  0.173084D+01  0.103017D+01  0.171379D+01
      2   0.520142D+00  0.101869D+01  0.935033D+00  0.171379D+01  0.124251D+01
      3   0.173084D+01  0.935033D+00  0.217757D+01 -0.401270D+00 -0.542749D+00
               291           292           293           294           295 
      1  -0.401270D+00  0.156827D+01  0.180812D+01 -0.630106D+00 -0.487519D+00
      2  -0.542749D+00  0.180812D+01  0.941785D+01 -0.305457D+01 -0.134669D+01
      3   0.503150D+00 -0.630106D+00 -0.305457D+01  0.204056D+01  0.100742D+01
               296           297           298           299           300 
      1  -0.134669D+01  0.100742D+01 -0.814466D+00  0.163209D+01  0.354117D+00
      2  -0.529942D+01  0.315420D+01  0.163209D+01 -0.968041D+00 -0.422322D+00
      3   0.315420D+01 -0.257749D+01  0.354117D+00 -0.422322D+00 -0.411533D+00
               301           302           303           304           305 
      1   0.146109D+01 -0.152751D+01 -0.510124D+00  0.377626D+00 -0.112807D+01
      2  -0.152751D+01  0.961624D+01  0.309950D+01 -0.112807D+01  0.540851D+01
      3  -0.510124D+00  0.309950D+01  0.205963D+01 -0.866206D+00  0.319430D+01
               306           307           308           309           310 
      1  -0.866206D+00 -0.406194D+01  0.125216D+01 -0.154612D+01  0.584323D+00
      2   0.319430D+01  0.125216D+01 -0.232139D+01  0.442254D+00 -0.125224D+01
      3   0.257533D+01 -0.154612D+01  0.442254D+00 -0.149785D+01  0.156293D+00
               311           312           313           314           315 
      1  -0.125224D+01  0.156293D+00 -0.262082D+01  0.593080D+00 -0.168730D+01
      2   0.114742D+01 -0.294233D+00  0.593080D+00 -0.106216D+01  0.101186D+01
      3  -0.294233D+00  0.355864D+00 -0.168730D+01  0.101186D+01 -0.217703D+01
               316           317           318           319           320 
      1  -0.527299D+01  0.899166D+00  0.254080D+01  0.195218D+00 -0.258136D+00
      2   0.899166D+00 -0.279069D+01 -0.816483D+00 -0.258136D+00 -0.925674D+00
      3   0.254080D+01 -0.816483D+00 -0.210982D+01  0.276053D+00 -0.612246D+00
               321           322           323           324           325 
      1   0.276053D+00  0.165568D+01  0.871197D-01 -0.113294D+01  0.452588D+00
      2  -0.612246D+00  0.871197D-01 -0.414145D+00  0.748142D-01 -0.478297D+00
      3  -0.319021D+00 -0.113294D+01  0.748142D-01  0.182241D+01  0.741324D+00
               326           327           328           329           330 
      1  -0.478297D+00  0.741324D+00  0.147001D+00  0.876711D+00  0.388454D+00
      2   0.253710D+01  0.110950D+01  0.876711D+00 -0.364252D+00  0.127653D+00
      3   0.110950D+01  0.210878D+01  0.388454D+00  0.127653D+00  0.402410D+00
               331           332           333 
      1   0.109937D+01 -0.940611D-01  0.494078D+00
      2  -0.940611D-01  0.176073D+01  0.132588D+01
      3   0.494078D+00  0.132588D+01  0.569164D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.442386D-01  0.198347D+01 -0.288206D+01  0.264564D+01  0.542914D+01
      2   0.202146D+01 -0.165537D+00  0.964990D+01  0.102047D+00 -0.117208D+02
      3  -0.351659D+01 -0.999961D+01 -0.189031D+01 -0.539401D+01  0.542467D+01
                 6             7             8             9            10 
      1  -0.275359D+01  0.123106D+00 -0.759244D+00  0.100707D+00 -0.373259D+01
      2  -0.304599D+01  0.218236D+01  0.898346D+00 -0.984812D+00  0.929035D+01
      3   0.920271D+01 -0.217792D+01  0.982341D+01  0.294114D+01  0.370580D+01
                11            12            13            14            15 
      1   0.483250D+01 -0.110541D+00  0.417126D+01 -0.127211D+01 -0.750166D+01
      2  -0.402678D+01  0.448434D+01 -0.462157D+01  0.518269D+00  0.581417D+01
      3   0.620234D+01  0.722307D+01  0.101642D+02 -0.523273D+01 -0.630342D+01
                16            17            18            19            20 
      1  -0.127344D+01 -0.129614D+01 -0.990747D+00  0.310688D+00 -0.117478D+01
      2   0.133696D+01  0.242141D+00  0.107590D+01 -0.121775D+02 -0.513092D+01
      3   0.728824D+01 -0.722002D+01 -0.281774D+01 -0.134143D+02 -0.106842D+02
                21            22            23            24            25 
      1   0.627437D+01  0.642427D+01  0.193326D+02 -0.431334D+01  0.108973D+02
      2  -0.894812D+00 -0.356305D+01  0.451846D+01 -0.564063D+01 -0.106246D+02
      3   0.306919D+01  0.513006D+01  0.208942D+02 -0.698236D+01  0.312224D+01
                26            27            28            29            30 
      1   0.151419D+02 -0.189897D+02 -0.176085D+00 -0.363820D+01  0.209440D-01
      2  -0.966848D+01  0.109728D+02 -0.350986D+01  0.231444D+00  0.333581D+01
      3  -0.160654D+01  0.620722D+00 -0.208825D-01 -0.646347D+01 -0.209264D-01
                31            32            33            34            35 
      1  -0.173320D+01  0.169372D+00 -0.300547D+01 -0.621992D-01  0.444789D+01
      2   0.825319D-01  0.107201D+01  0.379084D-02 -0.421727D+01  0.966536D-01
      3   0.432474D+01  0.161058D-01  0.140168D+01  0.365964D-01  0.844116D+00
                36            37            38            39            40 
      1   0.668057D-01 -0.639740D+00 -0.178232D+01 -0.643829D+01  0.577650D+01
      2  -0.484438D+00 -0.117400D+02  0.588941D+01 -0.371509D+00  0.404523D+01
      3  -0.229337D-01  0.130663D+02 -0.121779D+02 -0.333798D+01  0.362384D+01
                41            42            43            44            45 
      1  -0.193418D+02 -0.376965D+01 -0.106151D+02  0.160673D+02  0.194096D+02
      2   0.493198D+01  0.583833D+01 -0.970699D+01  0.939730D+01  0.100908D+02
      3  -0.205824D+02 -0.682464D+01 -0.317535D+01 -0.140363D+01 -0.623929D+00
                46            47            48            49            50 
      1   0.453775D+01  0.485935D+01 -0.456105D-01  0.422535D+01  0.889421D+00
      2   0.947287D+01  0.342803D+01  0.423524D+01  0.404215D+01  0.127496D+00
      3  -0.300726D+01  0.652248D+01 -0.750020D+01  0.104998D+02  0.448407D+01
                51            52            53            54            55 
      1  -0.775663D+01  0.126806D+01 -0.137345D+01  0.105106D+01  0.223077D+00
      2  -0.567653D+01  0.126475D+01 -0.251195D+00  0.104635D+01  0.202253D+01
      3  -0.598401D+01 -0.759410D+01 -0.691515D+01  0.283793D+01  0.289220D+01
                56            57            58            59            60 
      1   0.171510D+01  0.317071D+01  0.237395D+01 -0.612879D+01 -0.275777D+01
      2  -0.500898D+00  0.964390D+01 -0.789560D+00 -0.114419D+02  0.275740D+01
      3  -0.103343D+02  0.228734D+01 -0.572126D+01 -0.472290D+01  0.910702D+01
                61            62            63            64            65 
      1  -0.738497D-01 -0.791327D+00 -0.153214D+00 -0.657323D+01 -0.971284D+01
      2   0.214083D+01 -0.942674D+00 -0.988765D+00  0.167193D+02 -0.225699D+01
      3   0.261091D+01  0.972069D+01 -0.295273D+01  0.101855D+02  0.854998D+01
                66            67            68            69            70 
      1  -0.521958D+01 -0.144576D+02  0.231642D+01 -0.571855D+01 -0.258344D+01
      2  -0.691160D+00  0.492740D+01  0.524569D+01  0.504427D+01 -0.227722D+02
      3   0.434154D+01  0.233994D+02 -0.211403D+01  0.602981D+01 -0.304846D+00
                71            72            73            74            75 
      1   0.225671D+01 -0.241872D+00  0.624819D+01 -0.998120D+01  0.494919D+01
      2   0.218719D+01 -0.225775D+02  0.164187D+02  0.222482D+01 -0.111693D+01
      3   0.397527D+01  0.768028D+00 -0.882134D+01  0.905945D+01 -0.409774D+01
                76            77            78            79            80 
      1  -0.150713D+02 -0.107078D+01 -0.616620D+01  0.172810D+01  0.208035D+01
      2  -0.471053D+01  0.546422D+01 -0.475218D+01 -0.229184D+02 -0.133467D+01
      3   0.239319D+02  0.766270D+00  0.622541D+01  0.404431D+00  0.396480D+01
                81            82            83            84            85 
      1  -0.730284D+00 -0.456543D+01  0.322198D+01  0.182027D+01  0.414412D+00
      2  -0.225762D+02 -0.130070D+02 -0.117350D+02  0.121327D+02 -0.448551D+01
      3  -0.774497D+00 -0.180113D+02 -0.194409D+02  0.128126D+02 -0.371392D+01
                86            87            88            89            90 
      1   0.124260D+02  0.429133D+01  0.702458D+01  0.196575D+02 -0.127911D+02
      2  -0.611104D-01 -0.382662D+01 -0.225023D+01 -0.117217D+02  0.101330D+02
      3   0.965499D+01  0.989713D+00  0.696076D+01 -0.158636D+01  0.251089D+01
                91            92            93            94            95 
      1   0.725461D+01  0.274924D+01  0.752092D+01  0.465773D+01 -0.903732D+01
      2  -0.195735D+01  0.112781D+01 -0.375910D+00 -0.858442D-01  0.246226D+01
      3  -0.813162D+01 -0.106633D+01 -0.560851D+01  0.506105D+01  0.128037D+01
                96            97            98            99           100 
      1  -0.480516D+01  0.591736D+01 -0.159362D+01  0.118877D+01  0.115635D+01
      2  -0.553656D+00 -0.360412D+01  0.244679D+00 -0.330428D+00 -0.330487D+01
      3  -0.712452D+01 -0.101703D+02 -0.682921D+01 -0.628947D+01 -0.855942D+01
               101           102           103           104           105 
      1   0.197714D+01  0.307463D+01 -0.269954D+00  0.111879D+01 -0.106138D+01
      2   0.155064D+01  0.501883D+01 -0.197974D+01  0.192542D+01 -0.157523D+01
      3  -0.407622D+01 -0.353146D+01 -0.580033D+00 -0.382407D+00 -0.182138D+01
               106           107           108           109           110 
      1   0.219391D+01  0.104613D+01  0.151623D+01  0.144918D+01 -0.147897D+01
      2   0.207437D+01 -0.517513D+00  0.255787D+01  0.507290D+01  0.221547D+01
      3  -0.168805D+01 -0.279252D+01 -0.106150D+01  0.533929D+01  0.548780D+01
               111           112           113           114           115 
      1  -0.202504D+01 -0.348242D+00 -0.147133D+01 -0.322217D+01 -0.351381D+00
      2  -0.366982D+01  0.159777D+01  0.652128D+01 -0.648845D+01 -0.340838D+01
      3  -0.353843D+01  0.508081D+01  0.127934D+02 -0.640869D+01 -0.190963D+01
               116           117           118           119           120 
      1   0.270615D+00  0.220021D+01 -0.788336D+00 -0.336985D+00  0.219873D+01
      2  -0.482973D+01  0.603827D+01 -0.104575D+01  0.638137D+00  0.374694D+01
      3  -0.537040D+01  0.567735D+01  0.299023D+00 -0.394801D+01  0.688385D-01
               121           122           123           124           125 
      1  -0.261776D+01  0.280927D+01 -0.256700D+01  0.125219D+01 -0.419554D+00
      2  -0.297061D+01 -0.617529D+00 -0.380636D+01  0.895500D+00 -0.291668D+01
      3  -0.438923D+00  0.930524D+01  0.394286D+01  0.161837D+01  0.272463D+01
               126           127           128           129           130 
      1  -0.146185D+01 -0.422500D+01 -0.182597D+01  0.278083D+01 -0.267427D+01
      2  -0.230596D+01 -0.220347D+01  0.247323D+00  0.386975D+01  0.100603D+01
      3   0.105518D+01 -0.736676D+01 -0.634302D+01  0.426214D+01 -0.651834D+01
               131           132           133           134           135 
      1  -0.583013D+01  0.381788D+01  0.261252D+01  0.449333D+01 -0.424235D+01
      2  -0.338783D+01  0.578203D+01  0.104915D+01  0.260093D+01 -0.482380D+01
      3  -0.111806D+02  0.592523D+01  0.392205D+01  0.439254D+01 -0.567134D+01
               136           137           138           139           140 
      1   0.615536D+00 -0.510822D+00 -0.213611D+01 -0.263816D+01 -0.270346D+01
      2  -0.975880D+00 -0.606468D+00  0.400722D+01  0.310520D+01 -0.602245D+00
      3  -0.503860D+00 -0.433018D+01  0.102866D+00 -0.825473D+00 -0.909222D+01
               141           142           143           144           145 
      1  -0.230895D+01 -0.122165D+01 -0.238014D+00  0.136204D+01  0.392973D+01
      2   0.374696D+01  0.107383D+01  0.288956D+01 -0.237151D+01 -0.242523D+01
      3   0.394470D+01 -0.149934D+01  0.279321D+01 -0.106013D+01  0.682364D+01
               146           147           148           149           150 
      1  -0.177271D+01 -0.244863D+01 -0.264086D+01  0.588249D+01  0.366577D+01
      2  -0.219301D+00  0.373144D+01 -0.943905D+00 -0.358777D+01 -0.610620D+01
      3  -0.618260D+01 -0.399935D+01 -0.634524D+01  0.117583D+02  0.610566D+01
               151           152           153           154           155 
      1  -0.236823D+01  0.448052D+01  0.401209D+01 -0.122278D+01  0.191667D+01
      2   0.103599D+01 -0.284156D+01 -0.498529D+01 -0.321381D+01 -0.140862D+01
      3  -0.372012D+01  0.456299D+01  0.566501D+01  0.833124D+01 -0.441526D+01
               156           157           158           159           160 
      1  -0.289986D+01 -0.180263D+00 -0.110896D+01 -0.869528D+00 -0.205110D+01
      2   0.521855D+01  0.221570D+01  0.195000D+01  0.139850D+01  0.218603D+01
      3   0.344896D+01 -0.916956D+00  0.588767D+00 -0.197367D+01  0.155917D+01
               161           162           163           164           165 
      1   0.116042D+01 -0.140732D+01 -0.130383D+01 -0.144265D+01  0.173773D+01
      2   0.376621D+00  0.262995D+01  0.498290D+01 -0.209753D+01 -0.346942D+01
      3  -0.286935D+01  0.106092D+01 -0.491789D+01  0.516653D+01  0.326602D+01
               166           167           168           169           170 
      1  -0.282024D+00  0.183763D+01 -0.302261D+01  0.226178D+00  0.469021D+00
      2  -0.154638D+01  0.661712D+01  0.677601D+01 -0.321652D+01  0.495385D+01
      3   0.478096D+01 -0.132595D+02 -0.656137D+01  0.168245D+01 -0.544436D+01
               171           172           173           174           175 
      1  -0.193264D+01 -0.217902D+01  0.272514D+01 -0.265286D+00  0.394918D+01
      2   0.611318D+01 -0.189859D+01  0.161530D+01  0.187477D+01  0.503385D+01
      3  -0.567490D+01  0.272325D+01 -0.484791D+01  0.463831D+00 -0.341837D+01
               176           177           178           179           180 
      1  -0.750537D+01  0.991682D-01  0.117013D+01 -0.617105D+00 -0.392696D+00
      2  -0.152604D+01 -0.185287D+00  0.345316D+01 -0.104729D+01  0.778718D+00
      3   0.102458D+02 -0.118145D+01 -0.286684D+00  0.234886D+01  0.645703D+00
               181           182           183           184           185 
      1  -0.205315D+01 -0.786696D+00 -0.924677D+00  0.102710D+00 -0.638572D+00
      2   0.813049D+00  0.833709D+00 -0.292131D+01 -0.629239D+00  0.183449D+01
      3   0.156318D+01 -0.812190D-02  0.424343D+00  0.647259D+00  0.637349D+00
               186           187           188           189           190 
      1   0.646662D+00  0.101366D+01  0.291632D+01 -0.371083D+00  0.345135D+00
      2  -0.419226D+00 -0.953625D-01 -0.238209D+01  0.153779D+02 -0.312755D+01
      3  -0.163624D+01 -0.136872D+01 -0.260401D+01  0.159347D+01 -0.404295D+01
               191           192           193           194           195 
      1   0.441472D+01 -0.650020D+00  0.103824D+01 -0.704992D+01 -0.132898D+01
      2   0.202918D+01  0.741055D-01  0.291532D+01 -0.314363D+01  0.140076D+01
      3   0.440022D+01 -0.144252D+01  0.570561D+01 -0.862676D+01  0.137517D+01
               196           197           198           199           200 
      1  -0.666938D+00 -0.321085D+01  0.498550D-01  0.583729D+00 -0.112184D+01
      2   0.762103D-03  0.856125D+00 -0.709823D+00 -0.178881D+01  0.314548D+00
      3   0.139341D+01 -0.112799D+01 -0.756124D+00 -0.110236D+01 -0.970259D+00
               201           202           203           204           205 
      1   0.114097D+01 -0.591861D+00  0.132565D+00  0.261512D+01 -0.147424D+00
      2  -0.909820D+00 -0.107529D+01 -0.160429D+01 -0.428943D+00 -0.327421D+01
      3  -0.117270D+01 -0.285082D+00 -0.107197D+01  0.124063D+01 -0.290626D+01
               206           207           208           209           210 
      1  -0.655401D+00  0.126955D+02 -0.232607D+00  0.464102D+01  0.576566D+00
      2   0.124174D+01 -0.870739D+01 -0.332935D+01 -0.221457D+01  0.253283D-02
      3   0.240822D+00 -0.139262D+01  0.450140D+01  0.456536D+01  0.148687D+01
               211           212           213           214           215 
      1   0.122513D+01  0.665922D+01 -0.142655D+01  0.524473D+00 -0.329331D+01
      2  -0.295516D+01 -0.321419D+01 -0.133996D+01 -0.431982D-01 -0.706093D+00
      3   0.589208D+01  0.818001D+01  0.130012D+01 -0.145214D+01 -0.107416D+01
               216           217           218           219           220 
      1  -0.806942D-01 -0.734402D+00 -0.111654D+01 -0.107057D+01 -0.514228D+00
      2  -0.707148D+00 -0.172601D+01 -0.261620D+00 -0.847480D+00  0.110445D+01
      3   0.753037D+00  0.105167D+01 -0.964812D+00  0.123058D+01 -0.279444D+00
               221           222           223           224           225 
      1  -0.128590D+00  0.265579D+01 -0.282388D-01 -0.735789D+00 -0.130578D+02
      2  -0.163890D+01  0.340669D+00 -0.331880D+01 -0.108015D+01 -0.814187D+01
      3   0.112664D+01  0.118546D+01  0.291614D+01  0.117339D+00  0.141026D+01
               226           227           228           229           230 
      1   0.234874D+01  0.289123D+01  0.322821D+00  0.393379D+01  0.719284D+01
      2  -0.226565D+01 -0.174303D+01  0.189515D+01 -0.517207D+01 -0.157778D+01
      3  -0.304604D+01 -0.517186D+01 -0.477769D+00 -0.371668D+01 -0.993573D+01
               231           232           233           234           235 
      1   0.752978D-01 -0.105009D+01 -0.523506D+00  0.418046D+00  0.204713D+01
      2   0.115974D+00  0.354851D+01  0.923820D+00  0.766085D+00  0.713916D+00
      3  -0.113369D+01  0.401743D+00  0.234293D+01 -0.644145D+00 -0.153600D+01
               236           237           238           239           240 
      1  -0.875343D+00  0.827297D+00  0.696720D-01  0.746956D+00  0.628011D+00
      2  -0.747213D+00 -0.294368D+01  0.678729D+00  0.181354D+01  0.516761D+00
      3   0.329200D-01 -0.498023D+00  0.689263D+00 -0.663879D+00 -0.161533D+01
               241           242           243           244           245 
      1  -0.887463D+00  0.305022D+01  0.103131D+01 -0.697671D+01  0.341522D+01
      2   0.515364D-01  0.225340D+01  0.153389D+02 -0.167937D+01 -0.108272D+01
      3   0.125705D+01 -0.266217D+01 -0.158942D+01  0.830046D+01 -0.148895D+01
               246           247           248           249           250 
      1  -0.773565D+01  0.536426D+01  0.877426D+01 -0.443833D+01 -0.613190D+01
      2  -0.948368D-02  0.447687D-01  0.211031D+01  0.762217D+00 -0.334131D+01
      3   0.528862D+01  0.463602D+01 -0.143345D+01 -0.736038D+01  0.986131D+01
               251           252           253           254           255 
      1  -0.133559D+01 -0.119815D+01  0.414438D+01  0.299527D+01 -0.108288D+01
      2  -0.272659D-01 -0.278337D+00 -0.124303D+02  0.121359D+02  0.123388D+02
      3  -0.728984D+01  0.628414D+01  0.169048D+02 -0.206140D+02 -0.127467D+02
               256           257           258           259           260 
      1  -0.138831D+00 -0.125764D+02  0.450674D+01 -0.622278D+01  0.204351D+02
      2   0.502307D+01 -0.243515D+00  0.308147D+01 -0.146208D+01  0.108921D+02
      3  -0.487549D+01 -0.858917D+01  0.156860D+01 -0.700159D+01 -0.127018D+01
               261           262           263           264           265 
      1   0.131914D+02  0.513118D+01 -0.358435D+01 -0.374074D+01 -0.163866D+01
      2   0.952887D+01  0.701883D+01  0.558414D+00 -0.133507D+01 -0.220303D+01
      3  -0.249098D+01  0.119541D+02 -0.327294D+01 -0.522353D+01 -0.307479D+01
               266           267           268           269           270 
      1   0.286307D+01 -0.611953D-01 -0.310075D+01  0.118244D+01  0.290089D+01
      2  -0.632116D+00  0.687760D+00 -0.939641D+00  0.230138D+00  0.282303D+00
      3   0.236316D+01  0.141819D+01 -0.248793D+01 -0.269748D+00  0.300535D+01
               271           272           273           274           275 
      1   0.136542D+01  0.125088D+01  0.372545D+01 -0.520542D+00  0.344501D+00
      2  -0.144920D+01  0.283336D+01 -0.460675D+01  0.114408D+01  0.298085D+00
      3  -0.540042D+00  0.277566D+01 -0.303443D+01  0.176118D+01  0.802876D+00
               276           277           278           279           280 
      1  -0.565027D+00  0.706209D+00  0.525636D+00  0.898955D+01 -0.665859D+01
      2  -0.841135D-01 -0.282903D+01  0.202293D+01 -0.785825D+01  0.249462D+01
      3   0.427564D+00 -0.142683D+01  0.208748D+01 -0.221646D+01  0.140910D+02
               281           282           283           284           285 
      1  -0.125446D+01 -0.546660D+01 -0.463570D+00 -0.114702D+01 -0.949768D+00
      2   0.525679D+00  0.363507D+01  0.873703D-01  0.490786D+00  0.102119D+00
      3  -0.117279D+01  0.571810D+01 -0.782371D-01  0.472934D+01 -0.252093D+00
               286           287           288           289           290 
      1  -0.618879D+01 -0.761087D+00 -0.871623D+01  0.867804D-01  0.438143D+00
      2   0.119624D+01  0.130637D+01  0.335824D+01  0.146397D+00  0.291312D+00
      3   0.979236D+01 -0.517420D+00  0.491154D+01  0.217109D+01  0.353288D+01
               291           292           293           294           295 
      1  -0.181088D+01  0.165423D+01  0.384233D+01 -0.713449D+01 -0.156896D+01
      2   0.803465D+00  0.292348D+00 -0.174372D+01  0.175201D+01 -0.812988D+00
      3  -0.101110D+01  0.530712D+01 -0.294062D+01  0.153851D+00 -0.941198D+00
               296           297           298           299           300 
      1  -0.177887D+01  0.697509D+01  0.239469D-02  0.246519D+00  0.152218D+01
      2   0.161557D+01 -0.173824D+01  0.117216D+00 -0.385526D+00  0.657475D+00
      3   0.368542D+01  0.346222D+00 -0.176952D+01  0.374548D+01  0.101829D+01
               301           302           303           304           305 
      1   0.146680D+01 -0.399891D+01 -0.727937D+01  0.144899D+01 -0.191779D+01
      2  -0.438875D+00 -0.153651D+01 -0.146409D+01 -0.947857D+00 -0.149255D+01
      3   0.551753D+01  0.253468D+01  0.105362D+00  0.110362D+01  0.364003D+01
               306           307           308           309           310 
      1  -0.704402D+01  0.666767D+01 -0.153778D+01  0.556936D+01 -0.717439D+00
      2  -0.142739D+01  0.216778D+01 -0.548758D+00  0.338166D+01 -0.140784D+00
      3  -0.347404D+00 -0.141268D+02 -0.731259D+00 -0.571659D+01  0.354832D+00
               311           312           313           314           315 
      1   0.123885D+01 -0.120829D+01  0.618458D+01 -0.110246D+01  0.885016D+01
      2   0.463259D+00 -0.211984D+00  0.860465D+00 -0.130834D+01  0.296732D+01
      3  -0.467203D+01  0.114308D-01 -0.979683D+01 -0.598034D-01 -0.490528D+01
               316           317           318           319           320 
      1  -0.503166D+01 -0.350061D+01  0.366882D+01 -0.143793D+01 -0.265108D+01
      2   0.729668D+01 -0.753689D+00 -0.152835D+01  0.191509D+01 -0.576995D+00
      3  -0.122016D+02 -0.281803D+01  0.528730D+01 -0.262123D+01 -0.208926D+01
               321           322           323           324           325 
      1  -0.258542D+00  0.310156D+01  0.102895D+01 -0.289180D+01 -0.139876D+01
      2  -0.615635D+00 -0.109935D+01 -0.235285D+00  0.404769D+00 -0.153999D+01
      3   0.118251D+01  0.247878D+01 -0.382532D+00 -0.300603D+01  0.734876D+00
               326           327           328           329           330 
      1   0.116149D+01 -0.394877D+01 -0.530348D+00 -0.344696D+00 -0.379597D+00
      2  -0.280583D+01 -0.441818D+01 -0.105197D+01  0.492277D+00  0.299893D+00
      3   0.270741D+01  0.304726D+01  0.169383D+01 -0.999458D+00  0.294714D+00
               331           332           333 
      1  -0.801441D+00  0.467251D+00 -0.931508D+01
      2  -0.286587D+01 -0.192337D+01 -0.743923D+01
      3   0.149816D+01  0.203085D+01  0.221077D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.428184D+02 -0.731989D+01 -0.241544D+02 -0.313815D+01  0.179021D+02
      2   0.271437D+02  0.867041D+01  0.133621D+02  0.652352D+01 -0.936071D+01
      3   0.156746D+02 -0.135051D+01  0.107922D+02 -0.338537D+01 -0.854142D+01
      4  -0.178518D+02  0.825898D+01 -0.852442D+01  0.105086D+02  0.504578D+01
      5  -0.270941D+02 -0.205533D+01 -0.513184D+01  0.293084D+01 -0.846686D+01
      6  -0.749376D+01  0.552211D+01  0.165618D+00  0.392474D+01 -0.928613D+01
                 6             7             8             9            10 
      1   0.712619D+01 -0.191680D+02  0.604790D+01 -0.785456D+00  0.943328D+01
      2  -0.937962D+01  0.108475D+02 -0.811984D+01 -0.347461D+01 -0.647192D+01
      3   0.225344D+01  0.832051D+01  0.207194D+01  0.426007D+01 -0.296136D+01
      4  -0.835204D+01 -0.433871D+01 -0.611182D+01 -0.357419D+01 -0.184103D+01
      5  -0.460699D+01 -0.576223D+01 -0.315250D+01  0.203778D+01  0.113557D+02
      6  -0.909044D+01  0.613869D-01 -0.705112D+01 -0.864952D+00  0.852677D+01
                11            12            13            14            15 
      1   0.212871D+01  0.137038D+02  0.274910D+00 -0.170389D+02 -0.286091D+01
      2  -0.107919D+02 -0.552042D+01 -0.112848D+02  0.406515D+01  0.101373D+02
      3   0.866320D+01 -0.818334D+01  0.110099D+02  0.129737D+02 -0.727643D+01
      4  -0.230104D+02  0.706976D+01 -0.274003D+02 -0.239436D+02  0.183223D+02
      5   0.103407D+00 -0.880925D+01  0.155989D+01  0.207701D+02  0.393512D+01
      6   0.505290D+01 -0.849507D+00  0.100536D+02  0.118001D+02 -0.280405D+01
                16            17            18            19            20 
      1   0.965079D+01 -0.422976D+01 -0.522155D+01  0.200293D+01  0.345588D+01
      2  -0.303182D+01  0.964230D+01  0.177647D+01 -0.501788D+01  0.149949D+01
      3  -0.661898D+01 -0.541254D+01  0.344508D+01  0.301496D+01 -0.495537D+01
      4   0.443560D+01  0.141341D+02  0.663717D+00  0.795581D+01  0.139628D+02
      5  -0.749332D+01  0.221519D+01 -0.110134D+01 -0.429880D+01 -0.276627D+01
      6  -0.111783D+01 -0.373825D+01 -0.237936D+01 -0.769213D+01 -0.637869D+01
                21            22            23            24            25 
      1  -0.720055D+01 -0.143323D+01  0.153182D+02 -0.764350D+00 -0.132769D+01
      2   0.459836D+01  0.400176D+01 -0.184810D+02  0.242432D+01  0.178182D+01
      3   0.260218D+01 -0.256854D+01  0.316284D+01 -0.165997D+01 -0.454126D+00
      4  -0.903262D+01  0.861051D+01  0.862353D+01 -0.492301D+01 -0.456920D+01
      5   0.429673D+01 -0.109799D+01 -0.661778D+01  0.249581D+01  0.466001D+01
      6   0.207103D+01 -0.648775D+01 -0.788421D+00  0.510891D+01  0.834253D+00
                26            27            28            29            30 
      1  -0.138531D+01  0.978480D+01 -0.890219D+01  0.882870D-01  0.465387D+01
      2   0.139182D+01  0.448114D+01  0.220249D+01 -0.801954D-01 -0.591630D+01
      3  -0.650433D-02 -0.142659D+02  0.669970D+01 -0.809167D-02  0.126243D+01
      4  -0.191282D+01  0.138815D+01  0.555716D-01 -0.442173D+01 -0.350059D+00
      5   0.539078D+00  0.542788D+01  0.287850D+01 -0.205624D+00 -0.197477D+01
      6   0.372326D+01  0.536660D+01 -0.195558D+00 -0.333871D+01 -0.165205D-02
                31            32            33            34            35 
      1  -0.159757D-01  0.169611D+01 -0.365435D+00  0.778423D+01 -0.518853D+00
      2   0.244967D-01 -0.770641D+01  0.402207D+00 -0.848403D+01  0.537474D+00
      3  -0.852094D-02  0.601030D+01 -0.367725D-01  0.699793D+00 -0.186207D-01
      4  -0.585606D+01 -0.196305D-01 -0.597275D+01 -0.531388D+00 -0.818205D+01
      5  -0.194090D+00 -0.347193D+01  0.590318D-02  0.442424D+01 -0.231427D-01
      6  -0.317267D+01  0.235646D+00 -0.161461D+01 -0.203387D-01  0.329690D+01
                36            37            38            39            40 
      1  -0.229900D+00  0.130070D+01 -0.168054D+01 -0.637001D+01  0.274576D+01
      2  -0.550009D+00 -0.463337D+01 -0.328212D+01  0.371612D+01 -0.532081D+01
      3   0.779909D+00  0.333267D+01  0.496266D+01  0.265389D+01  0.257505D+01
      4  -0.185886D-02 -0.725988D+01  0.138733D+02  0.926670D+01  0.819913D+01
      5   0.825567D+00 -0.381034D+01  0.235369D+01  0.409643D+01  0.681641D+00
      6  -0.250209D-01  0.728662D+01 -0.673826D+01 -0.203352D+01 -0.677336D+01
                41            42            43            44            45 
      1   0.144627D+02  0.604091D+00 -0.885424D+00  0.125765D+01  0.967432D+01
      2  -0.173077D+02 -0.210036D+01  0.134905D+01 -0.122835D+01  0.459066D+01
      3   0.284502D+01  0.149627D+01 -0.463629D+00 -0.292981D-01 -0.142650D+02
      4  -0.110309D+02 -0.543964D+01  0.461665D+01 -0.222942D+01 -0.160114D+01
      5  -0.670919D+01 -0.242312D+01  0.459965D+01 -0.549056D+00  0.517492D+01
      6   0.168890D+01  0.530052D+01 -0.870677D+00  0.376848D+01 -0.563616D+01
                46            47            48            49            50 
      1   0.927648D+01 -0.511977D+01  0.132156D+02 -0.363987D+01 -0.145437D+02
      2  -0.547964D+01  0.130732D+02 -0.538657D+01  0.139519D+02  0.735362D+00
      3  -0.379684D+01 -0.795346D+01 -0.782906D+01 -0.103121D+02  0.138083D+02
      4  -0.949231D+00 -0.212421D+02 -0.708372D+01 -0.256667D+02  0.269011D+02
      5   0.109281D+02  0.531092D+00 -0.894196D+01 -0.703621D+00  0.202447D+02
      6  -0.835462D+01  0.484986D+01  0.111771D+01  0.990848D+01 -0.133479D+02
                51            52            53            54            55 
      1   0.385800D+01  0.945706D+01  0.502684D+01 -0.528601D+01 -0.405786D+02
      2  -0.114931D+02 -0.310479D+01 -0.107246D+02  0.185268D+01  0.247305D+02
      3   0.763513D+01 -0.635227D+01  0.569772D+01  0.343332D+01  0.158481D+02
      4   0.179943D+02 -0.435911D+01  0.136596D+02 -0.385794D+00  0.214979D+02
      5  -0.370499D+01 -0.753373D+01 -0.209348D+01 -0.962183D+00 -0.267103D+02
      6  -0.266369D+01  0.127466D+01 -0.367200D+01  0.242843D+01  0.903198D+01
                56            57            58            59            60 
      1   0.104640D+02 -0.236484D+02  0.645869D+01  0.167730D+02 -0.682451D+01
      2  -0.107675D+02  0.129665D+02 -0.881143D+01 -0.806780D+01  0.952118D+01
      3   0.303475D+00  0.106819D+02  0.235274D+01 -0.870520D+01 -0.269667D+01
      4   0.634193D+01  0.974569D+01  0.887504D+01 -0.690924D+01 -0.802151D+01
      5   0.307554D+01 -0.491719D+01 -0.198972D+01 -0.806395D+01  0.443475D+01
      6   0.545322D+01 -0.361995D+00  0.407879D+01  0.923108D+01 -0.928180D+01
                61            62            63            64            65 
      1  -0.189717D+02 -0.575055D+01 -0.439347D+00  0.104091D+02 -0.657053D+01
      2   0.107647D+02  0.815969D+01 -0.380790D+01 -0.961104D+01  0.572707D+01
      3   0.820696D+01 -0.240914D+01  0.424725D+01 -0.798105D+00  0.843464D+00
      4   0.534437D+01 -0.570202D+01  0.344507D+01 -0.203799D+02 -0.549810D+01
      5  -0.560204D+01  0.310222D+01  0.206674D+01  0.111599D+02 -0.491395D+01
      6  -0.135514D+00 -0.720268D+01  0.797506D+00 -0.359792D+01 -0.423054D+01
                66            67            68            69            70 
      1   0.641227D+01 -0.109187D+02 -0.824062D+01 -0.372934D+01  0.333818D+01
      2  -0.616751D+01  0.755951D+01  0.157368D+01  0.162875D+01 -0.296260D+01
      3  -0.244765D+00  0.335924D+01  0.666694D+01  0.210058D+01 -0.375581D+00
      4  -0.858548D+01  0.105218D+01 -0.514850D+01  0.693145D+01 -0.405587D+01
      5   0.736201D+01 -0.571895D+01  0.218482D+01 -0.123074D+01  0.463743D+01
      6  -0.122197D+01 -0.203538D+01 -0.203884D+01  0.298183D+01 -0.103906D+01
                71            72            73            74            75 
      1  -0.134611D+01  0.801477D+01  0.128049D+02  0.520049D+01  0.731241D+01
      2   0.283286D+01  0.742225D+01 -0.118600D+02 -0.468323D+01 -0.697572D+01
      3  -0.148675D+01 -0.154370D+02 -0.944886D+00 -0.517265D+00 -0.336690D+00
      4   0.217731D+01 -0.423711D+01  0.191512D+02 -0.661588D+01  0.828947D+01
      5  -0.154815D+01 -0.767523D+01  0.117400D+02  0.432693D+01  0.746527D+01
      6   0.348476D+01  0.689917D+00  0.283048D+01 -0.448605D+01  0.102750D+01
                76            77            78            79            80 
      1   0.101203D+02 -0.851301D+01  0.401871D+01  0.375485D+01  0.135833D+01
      2  -0.708348D+01  0.167713D+01 -0.192460D+01 -0.343763D+01 -0.286339D+01
      3  -0.303680D+01  0.683588D+01 -0.209411D+01 -0.317218D+00  0.150506D+01
      4  -0.367055D+00  0.580706D+01  0.632504D+01  0.382474D+01  0.181964D+01
      5   0.523474D+01  0.183044D+01  0.103796D+01  0.476810D+01  0.150061D+01
      6  -0.232543D+01  0.223309D+01  0.288519D+01  0.989648D+00  0.337453D+01
                81            82            83            84            85 
      1   0.840031D+01 -0.717614D+01 -0.332618D+01  0.991042D+01 -0.664023D+01
      2   0.704789D+01  0.100103D+02  0.334331D+01 -0.293133D+01  0.102944D+02
      3  -0.154482D+02 -0.283420D+01 -0.171322D-01 -0.697909D+01 -0.365414D+01
      4   0.419766D+01 -0.647831D+01  0.185256D+01  0.533632D+01  0.170219D+01
      5  -0.770653D+01  0.875637D+01 -0.129796D+01 -0.222605D+01 -0.155611D+01
      6  -0.368169D+00  0.524942D+01 -0.417813D+01  0.478306D+01 -0.322729D+01
                86            87            88            89            90 
      1  -0.180495D+02  0.856590D+01  0.649910D+01  0.415754D+01  0.290767D+01
      2   0.191728D+02 -0.161520D+02  0.475913D+00 -0.718441D+01  0.511170D+01
      3  -0.112330D+01  0.758609D+01 -0.697501D+01  0.302687D+01 -0.801938D+01
      4   0.512841D+01 -0.307476D+01  0.605543D+01 -0.240886D+01  0.294754D+01
      5  -0.692383D+01  0.181437D+01 -0.105060D+01  0.600867D+00 -0.195991D+01
      6  -0.122390D+02  0.454901D+01  0.399155D+01  0.224890D+01  0.666610D+01
                91            92            93            94            95 
      1  -0.218070D+01  0.232933D+01 -0.659021D+01  0.703561D+01  0.173173D+02
      2   0.279920D+00 -0.409796D+01  0.431843D+01 -0.126375D+02 -0.236245D+02
      3   0.190078D+01  0.176863D+01  0.227179D+01  0.560193D+01  0.630720D+01
      4  -0.792810D+01 -0.272771D+01 -0.116793D+02 -0.421375D+01 -0.115478D+02
      5  -0.575480D+01 -0.156450D+01 -0.321354D+01 -0.101139D+01  0.696864D+01
      6  -0.118554D+02  0.339648D+01 -0.909420D+01  0.399127D+01  0.293333D+02
                96            97            98            99           100 
      1  -0.155644D+02 -0.904435D+01 -0.198646D+02  0.265741D+01  0.699624D+02
      2   0.294230D+02  0.724717D+01  0.324135D+02 -0.682705D+01 -0.377871D+02
      3  -0.138586D+02  0.179718D+01 -0.125490D+02  0.416964D+01 -0.321753D+02
      4   0.526661D+01 -0.131353D+02  0.813680D+01 -0.117742D+02 -0.318948D+02
      5  -0.656263D+00 -0.448988D+01 -0.330635D+01 -0.384640D+00  0.317887D+02
      6  -0.973335D+01 -0.116371D+02 -0.123258D+02  0.184389D+01 -0.962662D+01
               101           102           103           104           105 
      1  -0.972175D+01  0.191712D+02  0.178880D+01  0.527975D+01  0.218523D+01
      2   0.257144D+01 -0.129165D+02 -0.438376D+01 -0.154022D+01 -0.332586D+01
      3   0.715031D+01 -0.625478D+01  0.259496D+01 -0.373953D+01  0.114063D+01
      4   0.138269D+02 -0.909531D+01  0.103205D+02 -0.525235D+01  0.415194D+01
      5  -0.509483D+01  0.186587D+02  0.518177D+00  0.508512D+01 -0.708739D+00
      6   0.343160D+01 -0.655773D+01  0.282734D+01 -0.311305D+01  0.363111D+01
               106           107           108           109           110 
      1   0.148254D+02 -0.718398D+00  0.107700D+02 -0.245891D+01 -0.910950D+01
      2  -0.119323D+02 -0.648252D+00 -0.897051D+01  0.252337D+01  0.850824D+01
      3  -0.289307D+01  0.136665D+01 -0.179946D+01 -0.644585D-01  0.601261D+00
      4  -0.834757D+01  0.455349D+01 -0.702137D+01 -0.210976D-01 -0.123718D+01
      5   0.207510D+02 -0.419261D+01  0.133924D+02  0.296826D+01 -0.545009D+00
      6  -0.715418D+01  0.446792D+01 -0.484509D+01 -0.485124D+01 -0.578244D+01
               111           112           113           114           115 
      1   0.873439D+01 -0.581697D+01 -0.187381D+02  0.963408D+01  0.594624D+01
      2  -0.466140D+01  0.361555D+01  0.239641D+02 -0.874464D+01 -0.276318D+01
      3  -0.407299D+01  0.220142D+01 -0.522603D+01 -0.889442D+00 -0.318306D+01
      4  -0.192469D+01  0.523826D+01 -0.145102D+02  0.692366D+01 -0.490327D+01
      5  -0.106539D+01 -0.247819D+01  0.709776D+01 -0.901740D+01  0.348065D+01
      6   0.540229D+01 -0.262606D+00 -0.177886D+02  0.144159D+02  0.256662D+00
               116           117           118           119           120 
      1   0.754641D+01 -0.956954D+01  0.148843D+02 -0.944145D+01 -0.524085D+01
      2  -0.587614D+01  0.436955D+01 -0.597304D+00 -0.316105D+01  0.132208D+01
      3  -0.167027D+01  0.519999D+01 -0.142870D+02  0.126025D+02  0.391877D+01
      4   0.706654D+01 -0.530190D+01 -0.244957D+02  0.234970D+02  0.784940D+01
      5  -0.646380D+01  0.810030D+01 -0.110202D+02  0.728877D+01  0.895177D+01
      6   0.127413D+02 -0.131394D+02  0.724780D+01 -0.586584D+01 -0.484068D+01
               121           122           123           124           125 
      1  -0.923803D+01  0.951487D-01 -0.139678D+01 -0.392087D+01 -0.155201D+01
      2  -0.834892D+01  0.238998D+02  0.649689D+01  0.121761D+01  0.368555D+01
      3   0.175869D+02 -0.239949D+02 -0.510011D+01  0.270325D+01 -0.213354D+01
      4   0.333511D+02 -0.453119D+02 -0.152877D+02  0.885811D+01 -0.120249D+02
      5   0.101867D+02 -0.152019D+02 -0.104138D+02  0.116504D+02 -0.107338D+02
      6  -0.103004D+02  0.177677D+02  0.116212D+02 -0.795773D+01  0.120577D+02
               126           127           128           129           130 
      1   0.872895D+00  0.223599D+02  0.718325D+01 -0.974616D+01  0.159915D+02
      2   0.136547D+01 -0.159156D+02 -0.672327D+01  0.825676D+01 -0.134821D+02
      3  -0.223836D+01 -0.644434D+01 -0.459979D+00  0.148939D+01 -0.250940D+01
      4  -0.114636D+02  0.155168D+01  0.719895D+01  0.756408D-01  0.640761D+01
      5  -0.904736D+01 -0.150814D+02 -0.365237D+01  0.127621D+02 -0.924621D+01
      6   0.853862D+01  0.118449D+01 -0.197048D+01 -0.212267D+01 -0.257399D+01
               131           132           133           134           135 
      1   0.838805D+01 -0.528938D+01 -0.985337D+01 -0.143322D+01  0.621650D+01
      2  -0.775362D+01  0.857215D+01  0.935714D+01  0.475607D+01 -0.106384D+02
      3  -0.634432D+00 -0.328277D+01  0.496227D+00 -0.332285D+01  0.442189D+01
      4   0.859239D+01 -0.695643D+01  0.190977D+01 -0.623037D+01  0.245484D+01
      5  -0.968564D+01  0.119617D+02  0.133546D+02  0.525685D+01 -0.149599D+02
      6  -0.173315D+01  0.218674D+00 -0.151745D+01  0.259156D+01  0.142189D+01
               136           137           138           139           140 
      1   0.180011D+02  0.108648D+02 -0.591265D+01  0.115337D+02  0.308768D+01
      2  -0.238256D+01  0.209552D+01  0.177000D+01  0.641199D+01  0.195622D+02
      3  -0.156186D+02 -0.129604D+02  0.414265D+01 -0.179457D+02 -0.226499D+02
      4   0.262163D+02  0.239934D+02 -0.821349D+01  0.340509D+02  0.436621D+02
      5  -0.121391D+02 -0.771157D+01  0.962810D+01 -0.108050D+02 -0.151742D+02
      6  -0.745593D+01 -0.596638D+01  0.493264D+01 -0.102762D+02 -0.164068D+02
               141           142           143           144           145 
      1   0.306429D+00 -0.466901D+01  0.695472D+00  0.187258D+01  0.212374D+02
      2  -0.523232D+01  0.186639D+01 -0.271374D+01  0.364218D+00 -0.149030D+02
      3   0.492589D+01  0.280262D+01  0.201827D+01 -0.223680D+01 -0.633442D+01
      4  -0.152428D+02 -0.914597D+01 -0.118406D+02  0.114571D+02 -0.254903D+01
      5   0.105163D+02  0.124813D+02  0.107334D+02 -0.943015D+01 -0.145643D+02
      6   0.109620D+02  0.795154D+01  0.112545D+02 -0.815369D+01 -0.742906D+00
               146           147           148           149           150 
      1  -0.713407D+01 -0.951125D+01 -0.160144D+02  0.861920D+01  0.508413D+01
      2   0.642259D+01  0.787031D+01  0.132360D+02 -0.783266D+01 -0.828956D+01
      3   0.711480D+00  0.164094D+01  0.277835D+01 -0.786546D+00  0.320543D+01
      4   0.750251D+01  0.378526D+00  0.739026D+01 -0.995067D+01 -0.756105D+01
      5   0.377873D+01  0.123078D+02  0.934787D+01 -0.101693D+02 -0.124792D+02
      6  -0.200741D+01  0.159623D+01 -0.285607D+01  0.237530D+01  0.672077D+00
               151           152           153           154           155 
      1  -0.993511D+01  0.131024D+01  0.597595D+01  0.727902D+02  0.802246D+01
      2   0.928689D+01 -0.460488D+01 -0.103693D+02 -0.402534D+02 -0.210205D+01
      3   0.648219D+00  0.329464D+01  0.439334D+01 -0.325368D+02 -0.592040D+01
      4  -0.135100D+01 -0.642322D+01 -0.317755D+01  0.281504D+02  0.122607D+02
      5   0.131608D+02 -0.571139D+01 -0.149642D+02  0.323538D+02  0.408617D+01
      6   0.105307D+01  0.277649D+01 -0.758028D+00  0.851614D+01  0.297328D+01
               156           157           158           159           160 
      1   0.198112D+02 -0.375000D+01  0.540775D+01 -0.266570D+01  0.155578D+02
      2  -0.135065D+02  0.511799D+01 -0.202960D+01  0.354102D+01 -0.125950D+02
      3  -0.630467D+01 -0.136799D+01 -0.337815D+01 -0.875326D+00 -0.296285D+01
      4   0.787869D+01  0.956121D+01  0.397379D+01  0.404810D+01  0.738200D+01
      5   0.189634D+02 -0.154804D+01  0.506285D+01  0.590115D-01  0.212363D+02
      6   0.590810D+01  0.261149D+01  0.264918D+01  0.335087D+01  0.644782D+01
               161           162           163           164           165 
      1   0.452179D+00  0.113515D+02 -0.182310D+01  0.831388D+01  0.848441D+01
      2   0.795428D+00 -0.955135D+01  0.202301D+01 -0.749862D+01 -0.445369D+01
      3  -0.124761D+01 -0.180014D+01 -0.199906D+00 -0.815261D+00 -0.403072D+01
      4   0.423425D+01  0.616038D+01  0.393015D+00 -0.130983D+01  0.167134D+01
      5   0.348311D+01  0.136150D+02  0.330494D+01  0.493023D+00 -0.881856D+00
      6   0.401519D+01  0.427667D+01  0.448204D+01 -0.524585D+01 -0.474089D+01
               166           167           168           169           170 
      1   0.560950D+01 -0.180522D+02 -0.937324D+01  0.605847D+01 -0.717274D+01
      2  -0.318473D+01  0.231631D+02  0.831692D+01 -0.294628D+01  0.537274D+01
      3  -0.242477D+01 -0.511094D+01  0.105632D+01 -0.311219D+01  0.180000D+01
      4   0.551955D+01  0.161545D+02  0.761791D+01  0.483669D+01  0.740653D+01
      5   0.266856D+01  0.772283D+01  0.966982D+01  0.376367D+01  0.684240D+01
      6   0.181145D+00  0.177060D+02  0.142219D+02  0.124504D+00  0.124475D+02
               171           172           173           174           175 
      1  -0.907213D+01  0.129736D+02 -0.601466D+01  0.560623D+00 -0.121768D+02
      2   0.389195D+01 -0.505185D+01  0.230826D+01 -0.976186D+00  0.679458D+01
      3   0.518018D+01 -0.792172D+01  0.370640D+01  0.415562D+00  0.538223D+01
      4   0.587431D+01 -0.107074D+02  0.113523D+02 -0.242112D+01  0.911877D+01
      5   0.863638D+01  0.377801D+01 -0.288641D+01  0.354758D+01 -0.860587D+01
      6   0.127541D+02 -0.297590D+01  0.369409D+01 -0.135606D+01  0.437376D+01
               176           177           178           179           180 
      1   0.412205D+01 -0.250920D+01 -0.611728D+01  0.102457D+01 -0.114598D+01
      2   0.895678D+00  0.405604D+01  0.302477D+01  0.776958D+00 -0.761855D+00
      3  -0.501773D+01 -0.154684D+01  0.309251D+01 -0.180152D+01  0.190783D+01
      4  -0.175237D+02  0.207184D+01 -0.190000D+01 -0.233510D+01 -0.362929D+01
      5   0.302045D+01 -0.602034D+01  0.293106D+00 -0.289013D+01  0.751596D+00
      6  -0.655791D+01  0.223110D+01 -0.115074D+01  0.100515D+01 -0.164548D+01
               181           182           183           184           185 
      1  -0.304568D+01 -0.207471D+00  0.335537D+01  0.243549D+00 -0.111272D+01
      2   0.889412D+00 -0.482985D+00  0.159898D+01 -0.184464D+00 -0.187650D+01
      3   0.215627D+01  0.690457D+00 -0.495435D+01 -0.590852D-01  0.298922D+01
      4  -0.281063D+01  0.589058D+00 -0.443265D+00  0.326670D+01 -0.277277D+00
      5  -0.954986D+00 -0.378529D+00  0.926694D+00 -0.406519D+00  0.285334D+01
      6   0.301104D+00  0.568628D+00 -0.167050D-01  0.169041D+01 -0.351368D+00
               186           187           188           189           190 
      1  -0.557394D-01  0.284182D+01  0.189354D+01 -0.166510D+02 -0.406011D+01
      2   0.721697D+00 -0.669997D+01  0.169850D+01 -0.190606D+02  0.546982D+01
      3  -0.665957D+00  0.385815D+01 -0.359204D+01  0.357117D+02 -0.140971D+01
      4   0.325306D+01  0.148710D+01  0.464060D+01 -0.333977D+01 -0.478877D+01
      5  -0.547442D+00  0.909279D+01 -0.228544D+01  0.232405D+02  0.294887D+01
      6   0.541371D+01  0.305084D+00  0.370883D+01  0.829010D+00  0.293961D+00
               191           192           193           194           195 
      1   0.660106D+01 -0.189283D+01  0.679145D+01 -0.202973D+02  0.476109D+01
      2  -0.845504D+01  0.115986D+01 -0.633444D+01  0.312800D+02 -0.385683D+01
      3   0.185398D+01  0.732971D+00 -0.457008D+00 -0.109827D+02 -0.904264D+00
      4   0.572582D+00  0.170395D+01  0.648168D+01  0.241858D+01 -0.770291D+00
      5  -0.407301D+00 -0.680965D+00 -0.299528D+01  0.162888D+01  0.124563D+01
      6   0.640076D+01 -0.320487D+01  0.114862D+01 -0.120202D+02  0.686206D+01
               196           197           198           199           200 
      1   0.165086D+01  0.611813D+00 -0.430730D+01 -0.500395D+00  0.143397D+01
      2  -0.130018D+01  0.299889D+01  0.220924D+01 -0.237919D+01 -0.101341D+01
      3  -0.350690D+00 -0.361070D+01  0.209806D+01  0.287958D+01 -0.420564D+00
      4   0.321111D+01  0.356017D+01 -0.160193D+01  0.420169D+00 -0.371787D+00
      5  -0.750977D+00 -0.174450D+00  0.568806D+00 -0.184263D+01 -0.143915D+00
      6  -0.202283D+01  0.268877D+01 -0.183299D+01 -0.607238D+00  0.196284D+01
               201           202           203           204           205 
      1  -0.324913D+01 -0.119616D+01 -0.390041D+01  0.270287D+00 -0.327365D+01
      2   0.932918D+00  0.115561D+01  0.173436D+01 -0.434625D+01  0.303239D+01
      3   0.231621D+01  0.405472D-01  0.216605D+01  0.407597D+01  0.241261D+00
      4  -0.104222D+01 -0.173872D+01 -0.305858D+01 -0.183877D-01 -0.427912D+01
      5   0.403500D+01  0.835607D+00  0.319226D+00 -0.208234D+01  0.447904D+01
      6  -0.163097D+01  0.167395D+01 -0.738720D+00  0.235311D+01  0.113319D+01
               206           207           208           209           210 
      1   0.499320D+01 -0.203642D+02 -0.422261D+01 -0.721482D+01 -0.222461D+01
      2  -0.376542D+00 -0.142866D+02  0.570860D+01  0.949768D+01  0.146063D+01
      3  -0.461666D+01  0.346508D+02 -0.148599D+01 -0.228285D+01  0.763977D+00
      4  -0.325325D+01 -0.186217D+00  0.553107D+01  0.982564D+00 -0.158496D+01
      5   0.339310D+01 -0.143824D+02  0.308624D+01  0.645284D+00 -0.582266D+00
      6   0.802917D+01 -0.185250D+02 -0.851593D-01  0.687745D+01  0.352078D+01
               211           212           213           214           215 
      1  -0.690517D+01 -0.198096D+02 -0.468874D+01  0.136035D+01 -0.330649D+00
      2   0.687247D+01  0.307381D+02  0.381298D+01 -0.116571D+01 -0.330408D+01
      3   0.326982D-01 -0.109285D+02  0.875760D+00 -0.194643D+00  0.363473D+01
      4   0.677852D+01 -0.497997D+00 -0.320271D+00 -0.318850D+01  0.358448D+01
      5   0.299497D+01  0.199906D+01 -0.920138D+00 -0.659157D+00  0.314918D+00
      6   0.153572D+01  0.115245D+02  0.673337D+01  0.216644D+01  0.257109D+01
               216           217           218           219           220 
      1  -0.414536D+01 -0.572276D+00 -0.160215D+01 -0.316706D+01  0.901293D+00
      2   0.205999D+01 -0.232421D+01  0.121151D+01  0.101940D+01 -0.825021D+00
      3   0.208537D+01  0.289649D+01  0.390635D+00  0.214766D+01 -0.762717D-01
      4   0.188084D+01 -0.583221D+00 -0.937005D-01  0.123411D+01 -0.165773D+01
      5   0.649759D+00 -0.182657D+01  0.329625D+00  0.418491D+01 -0.655205D+00
      6   0.178176D+01  0.856317D+00  0.195471D+01  0.156192D+01  0.169981D+01
               221           222           223           224           225 
      1  -0.360910D+01 -0.149049D+00 -0.312480D+01 -0.516723D+01 -0.203468D+02
      2   0.145970D+01  0.428081D+01  0.266422D+01  0.530168D+00 -0.142704D+02
      3   0.214940D+01 -0.413176D+01  0.460576D+00  0.463706D+01  0.346171D+02
      4   0.336844D+01  0.132409D+00  0.440956D+01 -0.320502D+01  0.436449D+00
      5   0.367464D+00  0.197758D+01  0.427635D+01 -0.324190D+01 -0.135275D+02
      6   0.583297D+00  0.221705D+01 -0.963994D+00  0.825193D+01  0.191803D+02
               226           227           228           229           230 
      1   0.146487D+02  0.656505D+01  0.873061D+00  0.125149D+02  0.473565D+01
      2  -0.636112D+01 -0.301051D+01 -0.134632D+01 -0.729022D+01 -0.100474D+00
      3  -0.828754D+01 -0.355454D+01  0.473255D+00 -0.522466D+01 -0.463518D+01
      4   0.107154D+02  0.112173D+02  0.241721D+01  0.852367D+01  0.164936D+02
      5   0.438937D+01  0.298796D+01  0.384901D+01  0.873100D+01  0.277319D+01
      6   0.313015D+01  0.370243D+01  0.128544D+01  0.413837D+01  0.607939D+01
               231           232           233           234           235 
      1   0.264063D+01 -0.598125D+01 -0.962983D+00 -0.837215D+00 -0.277765D+01
      2  -0.417702D+01  0.282033D+01 -0.703503D+00 -0.106857D+01  0.649265D+00
      3   0.153639D+01  0.316092D+01  0.166649D+01  0.190579D+01  0.212839D+01
      4   0.167311D+01  0.219423D+01 -0.241375D+01  0.363076D+01  0.312236D+01
      5   0.595270D+01  0.463000D+00  0.291283D+01  0.816833D+00 -0.922997D+00
      6   0.191895D+01  0.116875D+01  0.834513D+00  0.161570D+01 -0.166391D+00
               236           237           238           239           240 
      1   0.324365D+00  0.340671D+01  0.108590D+00 -0.110555D+01  0.185002D+00
      2   0.328650D+00  0.152200D+01 -0.203807D+00 -0.190783D+01 -0.106697D+01
      3  -0.653015D+00 -0.492871D+01  0.952168D-01  0.301338D+01  0.881965D+00
      4   0.477208D+00  0.501743D+00  0.314785D+01  0.798872D-01  0.318800D+01
      5   0.564564D+00  0.957034D+00  0.638106D+00  0.281667D+01  0.735460D+00
      6   0.569581D+00  0.209404D+00  0.168757D+01  0.131519D+00  0.537783D+01
               241           242           243           244           245 
      1   0.262434D+01 -0.160638D+01 -0.163628D+02 -0.187544D+01 -0.165903D+01
      2  -0.663280D+01 -0.181366D+01 -0.193356D+02  0.289309D+00  0.321851D+01
      3   0.400846D+01  0.342004D+01  0.356984D+02  0.158614D+01 -0.155947D+01
      4  -0.169281D+01  0.470862D+01  0.321484D+01  0.776264D+01 -0.234065D+01
      5   0.916097D+01  0.204624D+01  0.231540D+02 -0.507722D+01  0.219605D+01
      6  -0.540549D+00  0.363246D+01 -0.182597D+01  0.123435D+02  0.145302D+01
               246           247           248           249           250 
      1  -0.481884D+01 -0.648104D+01  0.186582D+02  0.161693D+02 -0.693014D+01
      2   0.193547D+01  0.118727D+02 -0.252990D+02 -0.299153D+02  0.458137D+01
      3   0.288338D+01 -0.539168D+01  0.664073D+01  0.137460D+02  0.234878D+01
      4   0.122538D+02 -0.324960D+01  0.994841D+01  0.271848D+01  0.140508D+02
      5  -0.279093D+01  0.166248D+01  0.550713D+01  0.343712D+00 -0.383957D+01
      6   0.877992D+01  0.208430D+01 -0.298492D+02 -0.101347D+02  0.112522D+02
               251           252           253           254           255 
      1   0.208183D+02  0.367377D+01 -0.611734D+01  0.292892D+01  0.901453D+01
      2  -0.332875D+02 -0.783868D+01  0.880147D+01 -0.301641D+01 -0.170290D+01
      3   0.124692D+02  0.416491D+01 -0.268413D+01  0.874918D-01 -0.731162D+01
      4   0.517615D+01  0.112991D+02  0.730232D+01  0.106702D+01 -0.598220D+01
      5   0.292584D+01 -0.462773D+00  0.860283D+01  0.430641D+00 -0.252846D+01
      6  -0.129491D+02 -0.182168D+01 -0.594980D+01 -0.340130D+01 -0.445716D+01
               256           257           258           259           260 
      1   0.621549D+01 -0.188534D+02 -0.919550D+01  0.575790D+01 -0.461592D+01
      2  -0.992987D+01  0.201407D+02  0.164583D+02  0.134916D+01  0.733134D+01
      3   0.371438D+01 -0.128730D+01 -0.726282D+01 -0.710706D+01 -0.271542D+01
      4   0.475355D+00 -0.354889D+01 -0.171519D+01 -0.639299D+01 -0.161269D+01
      5   0.735325D+00 -0.645566D+01 -0.149644D+01 -0.126676D+01 -0.447234D+00
      6  -0.247630D+01  0.128148D+02  0.481791D+01 -0.383715D+01  0.243524D+01
               261           262           263           264           265 
      1   0.264459D+01  0.171040D+02 -0.289209D+01 -0.536814D+01 -0.513799D+00
      2   0.536465D+01 -0.150226D+02  0.611256D+01  0.786139D+01  0.232211D+01
      3  -0.800924D+01 -0.208141D+01 -0.322047D+01 -0.249325D+01 -0.180831D+01
      4  -0.283883D+01  0.153596D+02  0.683622D+01 -0.753040D+01  0.130300D+01
      5  -0.225841D+01 -0.174971D+02 -0.320985D+01  0.111960D+02  0.220390D+01
      6  -0.657746D+01 -0.722900D+01 -0.392295D+01  0.672163D+01 -0.296140D+00
               266           267           268           269           270 
      1   0.393726D+01 -0.529518D+00 -0.315040D+01 -0.491526D+00  0.122662D+01
      2  -0.261096D+01 -0.537842D+00  0.640913D+01  0.157334D+01 -0.719056D+01
      3  -0.132630D+01  0.106736D+01 -0.325873D+01 -0.108182D+01  0.596395D+01
      4   0.299031D+00  0.229680D+00 -0.291795D+01 -0.373011D+00  0.320672D+01
      5  -0.211803D+00 -0.127736D+01  0.794179D+01  0.259206D+00 -0.723680D+01
      6   0.128118D+01 -0.450467D-01  0.331652D+01  0.146297D+01 -0.507765D+01
               271           272           273           274           275 
      1   0.624006D-01  0.660175D+01 -0.746910D+01  0.177065D+01 -0.188999D+01
      2  -0.444518D+01 -0.659522D+01 -0.198270D+01 -0.180409D+01 -0.490306D+00
      3   0.438278D+01 -0.653117D-02  0.945180D+01  0.334393D-01  0.238030D+01
      4  -0.358626D+01 -0.670064D+00 -0.332386D+01  0.119357D+00 -0.189442D+01
      5   0.189066D+01  0.259716D+00  0.347795D+01 -0.407944D-01  0.202356D+01
      6  -0.227701D+01  0.567238D+01 -0.878996D+01  0.225235D+01 -0.262947D+01
               276           277           278           279           280 
      1   0.167377D+01 -0.222367D+01  0.677293D+01 -0.154057D+02  0.121809D+02
      2  -0.733115D+00 -0.105196D+01 -0.274612D+01 -0.123993D+02 -0.265352D+01
      3  -0.940652D+00  0.327563D+01 -0.402682D+01  0.278050D+02 -0.952740D+01
      4   0.124769D+01 -0.353537D+01 -0.106372D+01 -0.295900D+01  0.252473D+02
      5  -0.903776D+00  0.408696D+01  0.452792D+00 -0.151926D+01  0.735858D+01
      6   0.526378D+01 -0.128859D+01  0.816079D+01 -0.204653D+02  0.932496D+01
               281           282           283           284           285 
      1  -0.270631D+01  0.438347D+01 -0.333512D+01 -0.169125D+01 -0.693953D+00
      2   0.107085D+02 -0.142752D+01  0.728855D+01  0.578303D+01  0.773881D+00
      3  -0.800218D+01 -0.295595D+01 -0.395343D+01 -0.409178D+01 -0.799280D-01
      4   0.122677D+02  0.918917D+01  0.624628D+01  0.856862D+01  0.184513D+01
      5   0.157774D+01  0.637223D+01  0.649305D+00  0.169146D+01  0.800382D+00
      6   0.292020D+01  0.873815D+01  0.119588D+01  0.147462D+01  0.354092D+01
               286           287           288           289           290 
      1   0.505303D+01 -0.129366D+01  0.489888D+00 -0.310525D+01 -0.870806D+00
      2  -0.211200D+01  0.491731D+01  0.407402D+00  0.809588D+01  0.572320D+01
      3  -0.294103D+01 -0.362365D+01 -0.897290D+00 -0.499064D+01 -0.485240D+01
      4   0.157090D+02  0.653723D+01  0.101413D+02  0.807598D+01  0.152739D+02
      5   0.774779D+01  0.312609D+01  0.755068D+01 -0.144976D+01 -0.334939D+01
      6   0.105332D+02  0.795401D+01  0.132032D+02 -0.449515D+01 -0.425296D+01
               291           292           293           294           295 
      1   0.988332D+00 -0.470135D+01 -0.365824D+02  0.131199D+02  0.410914D+01
      2  -0.229135D+01  0.112693D+02  0.648515D+02 -0.205154D+02 -0.626624D+01
      3   0.130302D+01 -0.656790D+01 -0.282691D+02  0.739543D+01  0.215710D+01
      4  -0.484705D+01  0.126395D+02  0.196307D+02 -0.744936D+01 -0.594599D+01
      5   0.372079D+01 -0.197810D+01 -0.471817D+01  0.314102D+01  0.410115D+01
      6   0.361560D+01 -0.615965D+01 -0.294847D+02  0.183525D+02  0.744941D+01
               296           297           298           299           300 
      1   0.200900D+02 -0.129677D+02 -0.351416D+01  0.670666D+00  0.799608D+00
      2  -0.292631D+02  0.154140D+02  0.804652D+01 -0.446851D+01 -0.177223D+01
      3   0.917306D+01 -0.244628D+01 -0.453236D+01  0.379784D+01  0.972624D+00
      4  -0.108001D+02  0.810722D+01 -0.637565D+01  0.145372D+02  0.441164D+01
      5   0.510719D+01 -0.438219D+01 -0.103619D+01  0.304770D+01  0.344717D+01
      6   0.263400D+02 -0.210356D+02  0.412977D+01 -0.325726D+01 -0.294946D+01
               301           302           303           304           305 
      1   0.425469D+01 -0.384135D+02 -0.137541D+02  0.367984D+01 -0.211303D+02
      2  -0.977143D+01  0.671564D+02  0.212003D+02 -0.542914D+01  0.303961D+02
      3   0.551674D+01 -0.287429D+02 -0.744621D+01  0.174931D+01 -0.926579D+01
      4   0.114984D+02 -0.162400D+02 -0.612973D+01  0.507580D+01 -0.880531D+01
      5   0.159666D+01 -0.361342D+01 -0.247736D+01  0.358712D+01 -0.409493D+01
      6  -0.510618D+01  0.300699D+02  0.186122D+02 -0.643658D+01  0.268404D+02
               306           307           308           309           310 
      1  -0.136216D+02  0.102311D+02  0.318415D+01  0.358444D+01  0.330258D+01
      2   0.160736D+02 -0.123950D+01 -0.113983D+02 -0.632260D+00 -0.747083D+01
      3  -0.245195D+01 -0.899157D+01  0.821418D+01 -0.295218D+01  0.416826D+01
      4  -0.681682D+01 -0.250206D+02  0.123689D+02 -0.933023D+01  0.649033D+01
      5  -0.344175D+01  0.683939D+01 -0.168868D+01  0.594316D+01 -0.834160D+00
      6   0.211933D+02 -0.944250D+01  0.335246D+01 -0.884453D+01  0.157362D+01
               311           312           313           314           315 
      1  -0.276945D+01  0.686578D+00  0.372141D+01  0.167693D+01 -0.414935D+00
      2   0.740599D+01 -0.894586D+00 -0.945087D+00 -0.541535D+01  0.130743D+01
      3  -0.463654D+01  0.208007D+00 -0.277632D+01  0.373843D+01 -0.892492D+00
      4  -0.901115D+01  0.218353D+01 -0.156776D+02  0.693365D+01 -0.101065D+02
      5   0.171739D+01 -0.908591D+00  0.714234D+01 -0.309702D+01  0.695642D+01
      6  -0.173890D+01  0.396588D+01 -0.104957D+02  0.856358D+01 -0.135201D+02
               316           317           318           319           320 
      1   0.158158D+02  0.293726D+01 -0.464502D+01  0.841131D-01  0.372529D+01
      2  -0.139704D+02 -0.618592D+01  0.718813D+01 -0.191897D+01 -0.217611D+01
      3  -0.184538D+01  0.324865D+01 -0.254311D+01  0.183486D+01 -0.154918D+01
      4  -0.163798D+02  0.711242D+01  0.810613D+01  0.186619D+01 -0.968016D+00
      5  -0.170930D+02  0.379410D+01  0.109423D+02 -0.145840D+01 -0.335852D+00
      6   0.781110D+01 -0.446274D+01 -0.721911D+01 -0.598789D+00 -0.105321D+01
               321           322           323           324           325 
      1   0.757950D+00 -0.284802D+01  0.579700D+00  0.924179D+00 -0.102134D-01
      2   0.197355D+00  0.606105D+01 -0.180430D+01 -0.689329D+01 -0.437338D+01
      3  -0.955305D+00 -0.321303D+01  0.122460D+01  0.596911D+01  0.438359D+01
      4  -0.128478D+00  0.332040D+01 -0.609215D+00 -0.357628D+01  0.338760D+01
      5   0.786447D+00  0.778120D+01 -0.545594D+00 -0.701506D+01  0.199943D+01
      6   0.221097D+00 -0.360723D+01  0.164095D+01  0.540657D+01  0.254772D+01
               326           327           328           329           330 
      1  -0.671388D+01 -0.722814D+01 -0.182770D+01 -0.134059D+01 -0.123724D+01
      2   0.679734D+01 -0.226123D+01  0.195167D+01 -0.104191D+01  0.719822D+00
      3  -0.834638D-01  0.948937D+01 -0.123976D+00  0.238250D+01  0.517422D+00
      4  -0.145708D+00  0.361486D+01  0.212188D+00  0.194395D+01  0.119303D+01
      5   0.488386D-03  0.391414D+01  0.147926D+00  0.213433D+01  0.961346D+00
      6   0.567799D+01  0.885663D+01  0.225079D+01  0.218588D+01  0.482896D+01
               331           332           333 
      1  -0.221530D+01 -0.674326D+01 -0.151244D+02
      2  -0.124513D+01  0.286787D+01 -0.126570D+02
      3   0.346043D+01  0.387539D+01  0.277814D+02
      4   0.354641D+01 -0.791915D+00  0.308729D+01
      5   0.413167D+01 -0.265913D+00 -0.594064D+00
      6   0.147843D+01  0.810863D+01  0.205032D+02
 Leave Link  716 at Mon Jul 19 02:08:27 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.158805D+03 -0.492782D-02 -0.461940D-01
      2  -0.492782D-02  0.157539D+03 -0.260618D-03
      3  -0.461940D-01 -0.260618D-03  0.127262D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.359089D+01  0.115889D+00  0.228090D+01
      2   0.683016D-01  0.887835D+00 -0.427007D-01
      3   0.272538D+01 -0.100430D+00 -0.174925D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.669732D+01 -0.103679D+03 -0.241178D+00
      2   0.683787D+01  0.110515D+03  0.222387D+00
      3  -0.140549D+00 -0.683634D+01  0.187914D-01
      4  -0.100745D+03  0.688909D+01 -0.547274D+01
      5  -0.202846D+00  0.111270D+01 -0.248864D+00
      6  -0.100436D+02  0.182474D+00 -0.104905D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.832387D+01  0.962555D+00  0.406472D+01 -0.613484D+00 -0.273072D+01
      2   0.962555D+00 -0.243107D+01  0.434198D-01 -0.273072D+01  0.702523D+00
      3   0.406472D+01  0.434198D-01  0.492168D+00 -0.521655D+00  0.219761D+01
                 6             7             8             9            10 
      1  -0.521655D+00  0.303943D+01 -0.373726D+00  0.526802D+00 -0.864496D+00
      2   0.219761D+01 -0.373726D+00  0.161702D+01  0.112413D+01  0.112031D+01
      3   0.975266D+00  0.526802D+00  0.112413D+01 -0.183983D+00 -0.250625D+01
                11            12            13            14            15 
      1   0.112031D+01 -0.250625D+01  0.232260D+01  0.547556D+01 -0.899309D+00
      2   0.429972D+01 -0.275943D+00  0.547556D+01  0.281177D+01 -0.351336D+01
      3  -0.275943D+00  0.854055D+00 -0.899309D+00 -0.351336D+01 -0.255603D+00
                16            17            18            19            20 
      1  -0.168052D+01 -0.335076D+00  0.107964D+01 -0.298432D+01 -0.411014D+01
      2  -0.335076D+00 -0.277690D+01 -0.268877D+00 -0.411014D+01 -0.625585D+01
      3   0.107964D+01 -0.268877D+00  0.254352D+00  0.334892D+01  0.247895D+01
                21            22            23            24            25 
      1   0.334892D+01 -0.184911D+01 -0.415394D+01  0.127190D+01  0.181132D+01
      2   0.247895D+01 -0.415394D+01 -0.287606D+01  0.269115D+01  0.114529D+01
      3  -0.126027D+01  0.127190D+01  0.269115D+01 -0.152135D+01 -0.104954D+01
                26            27            28            29            30 
      1   0.114529D+01 -0.104954D+01  0.953390D-01  0.177107D+01 -0.173752D-03
      2   0.282671D+01 -0.182319D+01  0.177107D+01 -0.142428D+00 -0.153116D+01
      3  -0.182319D+01 -0.154416D+01 -0.173752D-03 -0.153116D+01  0.640006D-03
                31            32            33            34            35 
      1   0.166067D+01 -0.123196D+00  0.176784D+01 -0.824304D-02 -0.683375D-01
      2  -0.123196D+00 -0.210902D+01 -0.138931D-02 -0.683375D-01  0.159675D-02
      3   0.176784D+01 -0.138931D-02  0.238954D+00  0.827252D-03  0.859601D-01
                36            37            38            39            40 
      1   0.827252D-03  0.255925D+01 -0.376519D+01 -0.317850D+01 -0.159575D+01
      2   0.859601D-01 -0.376519D+01  0.646222D+01  0.249597D+01  0.425802D+01
      3  -0.418577D-02 -0.317850D+01  0.249597D+01  0.119382D+01  0.128558D+01
                41            42            43            44            45 
      1   0.425802D+01  0.128558D+01 -0.172100D+01  0.109329D+01  0.966125D+00
      2  -0.352467D+01 -0.285876D+01  0.109329D+01 -0.293109D+01 -0.185731D+01
      3  -0.285876D+01 -0.156610D+01  0.966125D+00 -0.185731D+01  0.154698D+01
                46            47            48            49            50 
      1   0.104440D+01  0.657998D+00  0.245463D+01  0.180726D+01 -0.546497D+01
      2   0.657998D+00 -0.423729D+01 -0.227067D+00 -0.546497D+01  0.348186D+01
      3   0.245463D+01 -0.227067D+00 -0.867328D+00 -0.848983D+00  0.356068D+01
                51            52            53            54            55 
      1  -0.848983D+00  0.165152D+01 -0.280860D+00 -0.108961D+01 -0.823793D+01
      2   0.356068D+01 -0.280860D+00  0.280296D+01 -0.230267D+00  0.153704D+01
      3  -0.224425D+00 -0.108961D+01 -0.230267D+00 -0.250679D+00 -0.407727D+01
                56            57            58            59            60 
      1   0.153704D+01 -0.407727D+01 -0.304527D-01  0.271225D+01 -0.443958D+00
      2   0.234136D+01  0.123105D+00  0.271225D+01  0.361031D+00 -0.217820D+01
      3   0.123105D+00 -0.443762D+00 -0.443958D+00 -0.217820D+01  0.997221D+00
                61            62            63            64            65 
      1  -0.305941D+01 -0.313287D+00 -0.472375D+00  0.979970D+01 -0.155529D+01
      2  -0.313287D+00 -0.158614D+01  0.114906D+01 -0.155529D+01 -0.121534D+01
      3  -0.472375D+00  0.114906D+01  0.182015D+00  0.479655D+01 -0.573851D+00
                66            67            68            69            70 
      1   0.479655D+01 -0.457230D+01 -0.269523D+00 -0.186300D+01  0.370415D+01
      2  -0.573851D+00 -0.269523D+00 -0.730963D+00  0.168459D+01  0.499232D-01
      3   0.216903D+01 -0.186300D+01  0.168459D+01 -0.604137D+00  0.219026D+01
                71            72            73            74            75 
      1   0.499232D-01  0.219026D+01 -0.100815D+02 -0.105901D+01 -0.488972D+01
      2   0.110548D+01 -0.165585D+00 -0.105901D+01  0.129888D+01 -0.436180D+00
      3  -0.165585D+00 -0.152260D+01 -0.488972D+01 -0.436180D+00 -0.218892D+01
                76            77            78            79            80 
      1  -0.411443D+01  0.481753D+00 -0.172908D+01 -0.368705D+01  0.162101D+00
      2   0.481753D+00 -0.807246D+00 -0.158710D+01  0.162101D+00 -0.111467D+01
      3  -0.172908D+01 -0.158710D+01 -0.508800D+00 -0.219297D+01 -0.722616D-01
                81            82            83            84            85 
      1  -0.219297D+01 -0.299884D+00  0.168309D+01  0.796466D+00  0.247646D+01
      2  -0.722616D-01  0.168309D+01  0.169664D+01 -0.113050D+01  0.438296D+01
      3   0.152489D+01  0.796466D+00 -0.113050D+01  0.131548D+01 -0.184665D+01
                86            87            88            89            90 
      1   0.438296D+01 -0.184665D+01  0.222886D+00 -0.971143D+00  0.215630D+01
      2   0.883119D+01 -0.497307D+01 -0.971143D+00 -0.278831D+01  0.103011D+01
      3  -0.497307D+01  0.122561D+01  0.215630D+01  0.103011D+01  0.638481D+00
                91            92            93            94            95 
      1  -0.147347D+01 -0.379495D+00 -0.224712D+01 -0.668728D+00 -0.215175D+01
      2  -0.379495D+00 -0.434271D+00  0.526760D+00 -0.215175D+01 -0.466103D+01
      3  -0.224712D+01  0.526760D+00 -0.164856D+01  0.565561D+00  0.458907D+01
                96            97            98            99           100 
      1   0.565561D+00 -0.272293D+01  0.103736D+01 -0.206788D+01  0.110525D+02
      2   0.458907D+01  0.103736D+01  0.592612D+01 -0.178437D+01 -0.218887D+01
      3  -0.965677D+00 -0.206788D+01 -0.178437D+01  0.208373D+00  0.326524D+01
               101           102           103           104           105 
      1  -0.218887D+01  0.326524D+01  0.134988D+00  0.100518D+01  0.282501D+00
      2   0.143896D+01 -0.565648D+00  0.100518D+01 -0.807093D+00  0.696406D+00
      3  -0.565648D+00  0.220035D+01  0.282501D+00  0.696406D+00 -0.215153D+00
               106           107           108           109           110 
      1   0.307905D+01 -0.588120D+00  0.244897D+01 -0.475459D+00 -0.736588D+00
      2  -0.588120D+00  0.656518D+00 -0.750742D+00 -0.736588D+00 -0.145115D+01
      3   0.244897D+01 -0.750742D+00  0.165545D+01  0.958379D+00  0.540247D+00
               111           112           113           114           115 
      1   0.958379D+00 -0.113266D+01 -0.130034D+00  0.515948D-01  0.129169D+01
      2   0.540247D+00 -0.130034D+00 -0.441748D+01  0.211113D+01 -0.254355D+00
      3  -0.899654D+00  0.515948D-01  0.211113D+01 -0.223485D+01  0.691255D-01
               116           117           118           119           120 
      1  -0.254355D+00  0.691255D-01  0.364103D+01 -0.254239D+01 -0.123567D+01
      2   0.193606D+01 -0.172907D+01 -0.254239D+01  0.268769D+01  0.623677D+00
      3  -0.172907D+01  0.226891D+01 -0.123567D+01  0.623677D+00  0.110923D+01
               121           122           123           124           125 
      1  -0.406096D+01  0.461847D+01  0.143338D+01 -0.150435D+01  0.120413D+01
      2   0.461847D+01 -0.702461D+01 -0.244642D+01  0.120413D+01 -0.194658D+01
      3   0.143338D+01 -0.244642D+01 -0.173571D+01  0.165512D+01 -0.171879D+01
               126           127           128           129           130 
      1   0.165512D+01  0.317893D+01  0.877341D+00 -0.165804D+01  0.223807D+01
      2  -0.171879D+01  0.877341D+00  0.119450D+01 -0.402318D+00  0.136802D+01
      3  -0.143029D+01 -0.165804D+01 -0.402318D+00  0.158692D+01 -0.847421D+00
               131           132           133           134           135 
      1   0.136802D+01 -0.847421D+00 -0.205121D+01 -0.105571D+00  0.154144D+01
      2   0.194574D+01 -0.136173D+01 -0.105571D+00 -0.120630D+01  0.708896D+00
      3  -0.136173D+01  0.173734D+01  0.154144D+01  0.708896D+00 -0.216832D+01
               136           137           138           139           140 
      1  -0.405196D+01 -0.269346D+01  0.132848D+01 -0.429656D+01 -0.461627D+01
      2  -0.269346D+01 -0.275215D+01  0.673188D+00 -0.461627D+01 -0.649958D+01
      3   0.132848D+01  0.673188D+00 -0.118403D+01  0.148386D+01  0.235602D+01
               141           142           143           144           145 
      1   0.148386D+01  0.161406D+01  0.122172D+01 -0.173059D+01 -0.301539D+01
      2   0.235602D+01  0.122172D+01  0.184355D+01 -0.164777D+01  0.899862D+00
      3  -0.168786D+01 -0.173059D+01 -0.164777D+01  0.143328D+01  0.160333D+01
               146           147           148           149           150 
      1   0.899862D+00  0.160333D+01  0.225680D+01 -0.141889D+01 -0.858031D+00
      2  -0.118753D+01 -0.412504D+00 -0.141889D+01  0.212342D+01  0.141651D+01
      3  -0.412504D+00 -0.150951D+01 -0.858031D+00  0.141651D+01  0.180318D+01
               151           152           153           154           155 
      1   0.204103D+01 -0.140411D+00 -0.150727D+01 -0.112078D+02 -0.181441D+01
      2  -0.140411D+00  0.121647D+01  0.773787D+00 -0.181441D+01 -0.129877D+01
      3  -0.150727D+01  0.773787D+00  0.216088D+01 -0.327504D+01 -0.456335D+00
               156           157           158           159           160 
      1  -0.327504D+01  0.525694D+00 -0.965770D+00  0.392110D+00 -0.313277D+01
      2  -0.456335D+00 -0.965770D+00 -0.665888D+00 -0.689948D+00 -0.484517D+00
      3  -0.220972D+01  0.392110D+00 -0.689948D+00 -0.121182D+00 -0.248292D+01
               161           162           163           164           165 
      1  -0.484517D+00 -0.248292D+01  0.364533D+00 -0.693466D+00 -0.935333D+00
      2  -0.612072D+00 -0.646063D+00 -0.693466D+00  0.132336D+01  0.489666D+00
      3  -0.646063D+00 -0.165859D+01 -0.935333D+00  0.489666D+00  0.802111D+00
               166           167           168           169           170 
      1  -0.115381D+01  0.184382D-01  0.102180D-02 -0.131722D+01 -0.280638D+00
      2   0.184382D-01 -0.448941D+01 -0.213370D+01 -0.280638D+00 -0.191146D+01
      3   0.102180D-02 -0.213370D+01 -0.227024D+01 -0.143383D+00 -0.172286D+01
               171           172           173           174           175 
      1  -0.143383D+00 -0.253571D+01  0.167573D+01 -0.330420D-02  0.379532D+01
      2  -0.172286D+01  0.167573D+01 -0.228620D+01  0.401923D+00 -0.130187D+01
      3  -0.226417D+01 -0.330420D-02  0.401923D+00 -0.501528D+00  0.148454D+01
               176           177           178           179           180 
      1  -0.130187D+01  0.148454D+01  0.177092D+01  0.492292D+00  0.292757D+00
      2   0.342796D+01 -0.188046D+00  0.492292D+00  0.172399D+00  0.672245D+00
      3  -0.188046D+00  0.130485D+01  0.292757D+00  0.672245D+00 -0.201333D+00
               181           182           183           184           185 
      1   0.145371D+01  0.360615D+00  0.234463D+00 -0.128811D+00 -0.678087D+00
      2   0.360615D+00 -0.551550D+00  0.406903D-01 -0.678087D+00  0.140950D+00
      3   0.234463D+00  0.406903D-01  0.748500D+00  0.607342D-02 -0.767005D+00
               186           187           188           189           190 
      1   0.607342D-02 -0.213559D+01 -0.251477D+00 -0.150773D+01  0.154733D+01
      2  -0.767005D+00 -0.251477D+00 -0.112346D+01  0.641121D+00  0.487588D-01
      3   0.112957D+00 -0.150773D+01  0.641121D+00 -0.718815D+01 -0.645817D+00
               191           192           193           194           195 
      1   0.487588D-01 -0.645817D+00 -0.196939D+01  0.695081D+00  0.436798D-02
      2   0.219309D+01 -0.106047D+01  0.695081D+00 -0.611137D+01  0.102726D+01
      3  -0.106047D+01  0.778323D+00  0.436798D-02  0.102726D+01 -0.118153D+01
               196           197           198           199           200 
      1  -0.997715D+00 -0.950474D+00  0.661114D+00 -0.361222D+00  0.197832D+00
      2  -0.950474D+00 -0.796470D+00 -0.177440D+00  0.197832D+00  0.721066D+00
      3   0.661114D+00 -0.177440D+00  0.290931D+00  0.457931D+00 -0.358515D+00
               201           202           203           204           205 
      1   0.457931D+00  0.614561D+00  0.113554D+01 -0.475872D+00  0.159410D+01
      2  -0.358515D+00  0.113554D+01  0.216108D+00  0.898167D-01  0.585989D+00
      3   0.278017D+00 -0.475872D+00  0.898167D-01  0.629768D+00 -0.405515D+00
               206           207           208           209           210 
      1   0.585989D+00 -0.405515D+00 -0.163044D+01 -0.199160D-01  0.596259D+00
      2   0.157100D+01 -0.149752D+01 -0.199160D-01 -0.245917D+01 -0.112816D+01
      3  -0.149752D+01  0.704100D+01  0.596259D+00 -0.112816D+01 -0.827695D+00
               211           212           213           214           215 
      1  -0.196784D+01 -0.876671D+00 -0.663372D-01  0.918515D+00 -0.953441D+00
      2  -0.876671D+00 -0.593836D+01 -0.968311D+00 -0.953441D+00  0.890585D+00
      3  -0.663372D-01 -0.968311D+00 -0.114298D+01 -0.668399D+00 -0.146587D+00
               216           217           218           219           220 
      1  -0.668399D+00  0.397152D+00  0.986524D-01 -0.493890D+00  0.493712D+00
      2  -0.146587D+00  0.986524D-01 -0.722619D+00 -0.341168D+00 -0.115286D+01
      3  -0.285725D+00 -0.493890D+00 -0.341168D+00 -0.253080D+00 -0.456068D+00
               221           222           223           224           225 
      1  -0.115286D+01 -0.456068D+00 -0.154328D+01  0.586257D+00  0.336259D+00
      2   0.342949D+00 -0.561760D-01  0.586257D+00 -0.162594D+01 -0.152309D+01
      3  -0.561760D-01  0.631004D+00  0.336259D+00 -0.152309D+01 -0.703841D+01
               226           227           228           229           230 
      1   0.283522D+01  0.171226D+01  0.808618D-01  0.378232D+01  0.120391D+01
      2   0.171226D+01  0.228258D+01  0.407525D+00  0.120391D+01  0.323273D+01
      3   0.808618D-01  0.407525D+00  0.553777D+00  0.148776D+01  0.103573D+00
               231           232           233           234           235 
      1   0.148776D+01 -0.172487D+01  0.561067D+00 -0.264601D+00 -0.141735D+01
      2   0.103573D+00  0.561067D+00 -0.218772D+00  0.684508D+00  0.474497D+00
      3   0.128243D+01 -0.264601D+00  0.684508D+00  0.200950D+00 -0.229596D+00
               236           237           238           239           240 
      1   0.474497D+00 -0.229596D+00 -0.101361D-01  0.667118D+00  0.477924D-01
      2   0.521127D+00  0.831373D-01  0.667118D+00  0.594318D-01  0.762428D+00
      3   0.831373D-01 -0.743463D+00  0.477924D-01  0.762428D+00  0.145042D+00
               241           242           243           244           245 
      1   0.211056D+01 -0.294456D+00  0.153322D+01  0.141754D+01 -0.337768D+00
      2  -0.294456D+00  0.114694D+01  0.575218D+00 -0.337768D+00  0.255185D+00
      3   0.153322D+01  0.575218D+00  0.718460D+01  0.228311D+01  0.220154D+00
               246           247           248           249           250 
      1   0.228311D+01 -0.549125D+00  0.198437D+01  0.261898D+00  0.279770D+01
      2   0.220154D+00  0.198437D+01 -0.486091D+01 -0.462285D+01  0.649802D+00
      3   0.160332D+01  0.261898D+00 -0.462285D+01 -0.103548D+01  0.198555D+01
               251           252           253           254           255 
      1   0.649802D+00  0.198555D+01  0.539051D+00  0.139577D+01 -0.923696D+00
      2  -0.600375D+01 -0.187152D+01  0.139577D+01 -0.142411D+01 -0.862469D+00
      3  -0.187152D+01 -0.208104D+00 -0.923696D+00 -0.862469D+00 -0.125626D+01
               256           257           258           259           260 
      1   0.207458D+01 -0.414485D+01 -0.158217D+01 -0.305014D+00 -0.831215D+00
      2  -0.414485D+01  0.927026D+01  0.508685D+01 -0.831215D+00  0.286893D+01
      3  -0.158217D+01  0.508685D+01  0.127771D+01 -0.210714D+01  0.112153D+01
               261           262           263           264           265 
      1  -0.210714D+01  0.535388D+01  0.788314D+00 -0.255627D+01 -0.252094D-01
      2   0.112153D+01  0.788314D+00  0.267198D+01 -0.673714D+00  0.175261D+00
      3  -0.638450D+00 -0.255627D+01 -0.673714D+00  0.209176D+01  0.418002D+00
               266           267           268           269           270 
      1   0.175261D+00  0.418002D+00 -0.164094D+01  0.180230D+00  0.113304D+01
      2  -0.107028D+01  0.629692D+00  0.180230D+00  0.403465D+00  0.228643D-01
      3   0.629692D+00 -0.413587D+00  0.113304D+01  0.228643D-01 -0.181967D+01
               271           272           273           274           275 
      1  -0.493829D+00 -0.607861D+00 -0.672330D+00  0.904308D-01 -0.869390D+00
      2  -0.607861D+00 -0.250026D+01  0.113429D+01 -0.869390D+00 -0.174532D+00
      3  -0.672330D+00  0.113429D+01 -0.208890D+01  0.412955D+00 -0.195364D+00
               276           277           278           279           280 
      1   0.412955D+00 -0.110956D+01 -0.123867D+00 -0.432496D+00  0.419398D+01
      2  -0.195364D+00 -0.123867D+00 -0.175608D+01  0.134779D+01  0.122326D+01
      3   0.494808D+00 -0.432496D+00  0.134779D+01 -0.569671D+01  0.156984D+01
               281           282           283           284           285 
      1   0.122326D+01  0.156984D+01  0.509396D+00  0.121992D+01  0.992405D-01
      2   0.226191D+01  0.383097D+00  0.121992D+01  0.928997D+00  0.272553D+00
      3   0.383097D+00  0.151243D+01  0.992405D-01  0.272553D+00  0.289058D+00
               286           287           288           289           290 
      1   0.267039D+01  0.520142D+00  0.173084D+01  0.103017D+01  0.171379D+01
      2   0.520142D+00  0.101869D+01  0.935033D+00  0.171379D+01  0.124251D+01
      3   0.173084D+01  0.935033D+00  0.217757D+01 -0.401270D+00 -0.542749D+00
               291           292           293           294           295 
      1  -0.401270D+00  0.156827D+01  0.180812D+01 -0.630106D+00 -0.487519D+00
      2  -0.542749D+00  0.180812D+01  0.941785D+01 -0.305457D+01 -0.134669D+01
      3   0.503150D+00 -0.630106D+00 -0.305457D+01  0.204056D+01  0.100742D+01
               296           297           298           299           300 
      1  -0.134669D+01  0.100742D+01 -0.814466D+00  0.163209D+01  0.354117D+00
      2  -0.529942D+01  0.315420D+01  0.163209D+01 -0.968041D+00 -0.422322D+00
      3   0.315420D+01 -0.257749D+01  0.354117D+00 -0.422322D+00 -0.411533D+00
               301           302           303           304           305 
      1   0.146109D+01 -0.152751D+01 -0.510124D+00  0.377626D+00 -0.112807D+01
      2  -0.152751D+01  0.961624D+01  0.309950D+01 -0.112807D+01  0.540851D+01
      3  -0.510124D+00  0.309950D+01  0.205963D+01 -0.866206D+00  0.319430D+01
               306           307           308           309           310 
      1  -0.866206D+00 -0.406194D+01  0.125216D+01 -0.154612D+01  0.584323D+00
      2   0.319430D+01  0.125216D+01 -0.232139D+01  0.442254D+00 -0.125224D+01
      3   0.257533D+01 -0.154612D+01  0.442254D+00 -0.149785D+01  0.156293D+00
               311           312           313           314           315 
      1  -0.125224D+01  0.156293D+00 -0.262082D+01  0.593080D+00 -0.168730D+01
      2   0.114742D+01 -0.294233D+00  0.593080D+00 -0.106216D+01  0.101186D+01
      3  -0.294233D+00  0.355864D+00 -0.168730D+01  0.101186D+01 -0.217703D+01
               316           317           318           319           320 
      1  -0.527299D+01  0.899166D+00  0.254080D+01  0.195218D+00 -0.258136D+00
      2   0.899166D+00 -0.279069D+01 -0.816483D+00 -0.258136D+00 -0.925674D+00
      3   0.254080D+01 -0.816483D+00 -0.210982D+01  0.276053D+00 -0.612246D+00
               321           322           323           324           325 
      1   0.276053D+00  0.165568D+01  0.871197D-01 -0.113294D+01  0.452588D+00
      2  -0.612246D+00  0.871197D-01 -0.414145D+00  0.748142D-01 -0.478297D+00
      3  -0.319021D+00 -0.113294D+01  0.748142D-01  0.182241D+01  0.741324D+00
               326           327           328           329           330 
      1  -0.478297D+00  0.741324D+00  0.147001D+00  0.876711D+00  0.388454D+00
      2   0.253710D+01  0.110950D+01  0.876711D+00 -0.364252D+00  0.127653D+00
      3   0.110950D+01  0.210878D+01  0.388454D+00  0.127653D+00  0.402410D+00
               331           332           333 
      1   0.109937D+01 -0.940611D-01  0.494078D+00
      2  -0.940611D-01  0.176073D+01  0.132588D+01
      3   0.494078D+00  0.132588D+01  0.569164D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.442386D-01  0.198347D+01 -0.288206D+01  0.264564D+01  0.542914D+01
      2   0.202146D+01 -0.165537D+00  0.964990D+01  0.102047D+00 -0.117208D+02
      3  -0.351659D+01 -0.999961D+01 -0.189031D+01 -0.539401D+01  0.542467D+01
                 6             7             8             9            10 
      1  -0.275359D+01  0.123106D+00 -0.759244D+00  0.100707D+00 -0.373259D+01
      2  -0.304599D+01  0.218236D+01  0.898346D+00 -0.984812D+00  0.929035D+01
      3   0.920271D+01 -0.217792D+01  0.982341D+01  0.294114D+01  0.370580D+01
                11            12            13            14            15 
      1   0.483250D+01 -0.110541D+00  0.417126D+01 -0.127211D+01 -0.750166D+01
      2  -0.402678D+01  0.448434D+01 -0.462157D+01  0.518269D+00  0.581417D+01
      3   0.620234D+01  0.722307D+01  0.101642D+02 -0.523273D+01 -0.630342D+01
                16            17            18            19            20 
      1  -0.127344D+01 -0.129614D+01 -0.990747D+00  0.310688D+00 -0.117478D+01
      2   0.133696D+01  0.242141D+00  0.107590D+01 -0.121775D+02 -0.513092D+01
      3   0.728824D+01 -0.722002D+01 -0.281774D+01 -0.134143D+02 -0.106842D+02
                21            22            23            24            25 
      1   0.627437D+01  0.642427D+01  0.193326D+02 -0.431334D+01  0.108973D+02
      2  -0.894812D+00 -0.356305D+01  0.451846D+01 -0.564063D+01 -0.106246D+02
      3   0.306919D+01  0.513006D+01  0.208942D+02 -0.698236D+01  0.312224D+01
                26            27            28            29            30 
      1   0.151419D+02 -0.189897D+02 -0.176085D+00 -0.363820D+01  0.209440D-01
      2  -0.966848D+01  0.109728D+02 -0.350986D+01  0.231444D+00  0.333581D+01
      3  -0.160654D+01  0.620722D+00 -0.208825D-01 -0.646347D+01 -0.209264D-01
                31            32            33            34            35 
      1  -0.173320D+01  0.169372D+00 -0.300547D+01 -0.621992D-01  0.444789D+01
      2   0.825319D-01  0.107201D+01  0.379084D-02 -0.421727D+01  0.966536D-01
      3   0.432474D+01  0.161058D-01  0.140168D+01  0.365964D-01  0.844116D+00
                36            37            38            39            40 
      1   0.668057D-01 -0.639740D+00 -0.178232D+01 -0.643829D+01  0.577650D+01
      2  -0.484438D+00 -0.117400D+02  0.588941D+01 -0.371509D+00  0.404523D+01
      3  -0.229337D-01  0.130663D+02 -0.121779D+02 -0.333798D+01  0.362384D+01
                41            42            43            44            45 
      1  -0.193418D+02 -0.376965D+01 -0.106151D+02  0.160673D+02  0.194096D+02
      2   0.493198D+01  0.583833D+01 -0.970699D+01  0.939730D+01  0.100908D+02
      3  -0.205824D+02 -0.682464D+01 -0.317535D+01 -0.140363D+01 -0.623929D+00
                46            47            48            49            50 
      1   0.453775D+01  0.485935D+01 -0.456105D-01  0.422535D+01  0.889421D+00
      2   0.947287D+01  0.342803D+01  0.423524D+01  0.404215D+01  0.127496D+00
      3  -0.300726D+01  0.652248D+01 -0.750020D+01  0.104998D+02  0.448407D+01
                51            52            53            54            55 
      1  -0.775663D+01  0.126806D+01 -0.137345D+01  0.105106D+01  0.223077D+00
      2  -0.567653D+01  0.126475D+01 -0.251195D+00  0.104635D+01  0.202253D+01
      3  -0.598401D+01 -0.759410D+01 -0.691515D+01  0.283793D+01  0.289220D+01
                56            57            58            59            60 
      1   0.171510D+01  0.317071D+01  0.237395D+01 -0.612879D+01 -0.275777D+01
      2  -0.500898D+00  0.964390D+01 -0.789560D+00 -0.114419D+02  0.275740D+01
      3  -0.103343D+02  0.228734D+01 -0.572126D+01 -0.472290D+01  0.910702D+01
                61            62            63            64            65 
      1  -0.738497D-01 -0.791327D+00 -0.153214D+00 -0.657323D+01 -0.971284D+01
      2   0.214083D+01 -0.942674D+00 -0.988765D+00  0.167193D+02 -0.225699D+01
      3   0.261091D+01  0.972069D+01 -0.295273D+01  0.101855D+02  0.854998D+01
                66            67            68            69            70 
      1  -0.521958D+01 -0.144576D+02  0.231642D+01 -0.571855D+01 -0.258344D+01
      2  -0.691160D+00  0.492740D+01  0.524569D+01  0.504427D+01 -0.227722D+02
      3   0.434154D+01  0.233994D+02 -0.211403D+01  0.602981D+01 -0.304846D+00
                71            72            73            74            75 
      1   0.225671D+01 -0.241872D+00  0.624819D+01 -0.998120D+01  0.494919D+01
      2   0.218719D+01 -0.225775D+02  0.164187D+02  0.222482D+01 -0.111693D+01
      3   0.397527D+01  0.768028D+00 -0.882134D+01  0.905945D+01 -0.409774D+01
                76            77            78            79            80 
      1  -0.150713D+02 -0.107078D+01 -0.616620D+01  0.172810D+01  0.208035D+01
      2  -0.471053D+01  0.546422D+01 -0.475218D+01 -0.229184D+02 -0.133467D+01
      3   0.239319D+02  0.766270D+00  0.622541D+01  0.404431D+00  0.396480D+01
                81            82            83            84            85 
      1  -0.730284D+00 -0.456543D+01  0.322198D+01  0.182027D+01  0.414412D+00
      2  -0.225762D+02 -0.130070D+02 -0.117350D+02  0.121327D+02 -0.448551D+01
      3  -0.774497D+00 -0.180113D+02 -0.194409D+02  0.128126D+02 -0.371392D+01
                86            87            88            89            90 
      1   0.124260D+02  0.429133D+01  0.702458D+01  0.196575D+02 -0.127911D+02
      2  -0.611104D-01 -0.382662D+01 -0.225023D+01 -0.117217D+02  0.101330D+02
      3   0.965499D+01  0.989713D+00  0.696076D+01 -0.158636D+01  0.251089D+01
                91            92            93            94            95 
      1   0.725461D+01  0.274924D+01  0.752092D+01  0.465773D+01 -0.903732D+01
      2  -0.195735D+01  0.112781D+01 -0.375910D+00 -0.858442D-01  0.246226D+01
      3  -0.813162D+01 -0.106633D+01 -0.560851D+01  0.506105D+01  0.128037D+01
                96            97            98            99           100 
      1  -0.480516D+01  0.591736D+01 -0.159362D+01  0.118877D+01  0.115635D+01
      2  -0.553656D+00 -0.360412D+01  0.244679D+00 -0.330428D+00 -0.330487D+01
      3  -0.712452D+01 -0.101703D+02 -0.682921D+01 -0.628947D+01 -0.855942D+01
               101           102           103           104           105 
      1   0.197714D+01  0.307463D+01 -0.269954D+00  0.111879D+01 -0.106138D+01
      2   0.155064D+01  0.501883D+01 -0.197974D+01  0.192542D+01 -0.157523D+01
      3  -0.407622D+01 -0.353146D+01 -0.580033D+00 -0.382407D+00 -0.182138D+01
               106           107           108           109           110 
      1   0.219391D+01  0.104613D+01  0.151623D+01  0.144918D+01 -0.147897D+01
      2   0.207437D+01 -0.517513D+00  0.255787D+01  0.507290D+01  0.221547D+01
      3  -0.168805D+01 -0.279252D+01 -0.106150D+01  0.533929D+01  0.548780D+01
               111           112           113           114           115 
      1  -0.202504D+01 -0.348242D+00 -0.147133D+01 -0.322217D+01 -0.351381D+00
      2  -0.366982D+01  0.159777D+01  0.652128D+01 -0.648845D+01 -0.340838D+01
      3  -0.353843D+01  0.508081D+01  0.127934D+02 -0.640869D+01 -0.190963D+01
               116           117           118           119           120 
      1   0.270615D+00  0.220021D+01 -0.788336D+00 -0.336985D+00  0.219873D+01
      2  -0.482973D+01  0.603827D+01 -0.104575D+01  0.638137D+00  0.374694D+01
      3  -0.537040D+01  0.567735D+01  0.299023D+00 -0.394801D+01  0.688385D-01
               121           122           123           124           125 
      1  -0.261776D+01  0.280927D+01 -0.256700D+01  0.125219D+01 -0.419554D+00
      2  -0.297061D+01 -0.617529D+00 -0.380636D+01  0.895500D+00 -0.291668D+01
      3  -0.438923D+00  0.930524D+01  0.394286D+01  0.161837D+01  0.272463D+01
               126           127           128           129           130 
      1  -0.146185D+01 -0.422500D+01 -0.182597D+01  0.278083D+01 -0.267427D+01
      2  -0.230596D+01 -0.220347D+01  0.247323D+00  0.386975D+01  0.100603D+01
      3   0.105518D+01 -0.736676D+01 -0.634302D+01  0.426214D+01 -0.651834D+01
               131           132           133           134           135 
      1  -0.583013D+01  0.381788D+01  0.261252D+01  0.449333D+01 -0.424235D+01
      2  -0.338783D+01  0.578203D+01  0.104915D+01  0.260093D+01 -0.482380D+01
      3  -0.111806D+02  0.592523D+01  0.392205D+01  0.439254D+01 -0.567134D+01
               136           137           138           139           140 
      1   0.615536D+00 -0.510822D+00 -0.213611D+01 -0.263816D+01 -0.270346D+01
      2  -0.975880D+00 -0.606468D+00  0.400722D+01  0.310520D+01 -0.602245D+00
      3  -0.503860D+00 -0.433018D+01  0.102866D+00 -0.825473D+00 -0.909222D+01
               141           142           143           144           145 
      1  -0.230895D+01 -0.122165D+01 -0.238014D+00  0.136204D+01  0.392973D+01
      2   0.374696D+01  0.107383D+01  0.288956D+01 -0.237151D+01 -0.242523D+01
      3   0.394470D+01 -0.149934D+01  0.279321D+01 -0.106013D+01  0.682364D+01
               146           147           148           149           150 
      1  -0.177271D+01 -0.244863D+01 -0.264086D+01  0.588249D+01  0.366577D+01
      2  -0.219301D+00  0.373144D+01 -0.943905D+00 -0.358777D+01 -0.610620D+01
      3  -0.618260D+01 -0.399935D+01 -0.634524D+01  0.117583D+02  0.610566D+01
               151           152           153           154           155 
      1  -0.236823D+01  0.448052D+01  0.401209D+01 -0.122278D+01  0.191667D+01
      2   0.103599D+01 -0.284156D+01 -0.498529D+01 -0.321381D+01 -0.140862D+01
      3  -0.372012D+01  0.456299D+01  0.566501D+01  0.833124D+01 -0.441526D+01
               156           157           158           159           160 
      1  -0.289986D+01 -0.180263D+00 -0.110896D+01 -0.869528D+00 -0.205110D+01
      2   0.521855D+01  0.221570D+01  0.195000D+01  0.139850D+01  0.218603D+01
      3   0.344896D+01 -0.916956D+00  0.588767D+00 -0.197367D+01  0.155917D+01
               161           162           163           164           165 
      1   0.116042D+01 -0.140732D+01 -0.130383D+01 -0.144265D+01  0.173773D+01
      2   0.376621D+00  0.262995D+01  0.498290D+01 -0.209753D+01 -0.346942D+01
      3  -0.286935D+01  0.106092D+01 -0.491789D+01  0.516653D+01  0.326602D+01
               166           167           168           169           170 
      1  -0.282024D+00  0.183763D+01 -0.302261D+01  0.226178D+00  0.469021D+00
      2  -0.154638D+01  0.661712D+01  0.677601D+01 -0.321652D+01  0.495385D+01
      3   0.478096D+01 -0.132595D+02 -0.656137D+01  0.168245D+01 -0.544436D+01
               171           172           173           174           175 
      1  -0.193264D+01 -0.217902D+01  0.272514D+01 -0.265286D+00  0.394918D+01
      2   0.611318D+01 -0.189859D+01  0.161530D+01  0.187477D+01  0.503385D+01
      3  -0.567490D+01  0.272325D+01 -0.484791D+01  0.463831D+00 -0.341837D+01
               176           177           178           179           180 
      1  -0.750537D+01  0.991682D-01  0.117013D+01 -0.617105D+00 -0.392696D+00
      2  -0.152604D+01 -0.185287D+00  0.345316D+01 -0.104729D+01  0.778718D+00
      3   0.102458D+02 -0.118145D+01 -0.286684D+00  0.234886D+01  0.645703D+00
               181           182           183           184           185 
      1  -0.205315D+01 -0.786696D+00 -0.924677D+00  0.102710D+00 -0.638572D+00
      2   0.813049D+00  0.833709D+00 -0.292131D+01 -0.629239D+00  0.183449D+01
      3   0.156318D+01 -0.812190D-02  0.424343D+00  0.647259D+00  0.637349D+00
               186           187           188           189           190 
      1   0.646662D+00  0.101366D+01  0.291632D+01 -0.371083D+00  0.345135D+00
      2  -0.419226D+00 -0.953625D-01 -0.238209D+01  0.153779D+02 -0.312755D+01
      3  -0.163624D+01 -0.136872D+01 -0.260401D+01  0.159347D+01 -0.404295D+01
               191           192           193           194           195 
      1   0.441472D+01 -0.650020D+00  0.103824D+01 -0.704992D+01 -0.132898D+01
      2   0.202918D+01  0.741055D-01  0.291532D+01 -0.314363D+01  0.140076D+01
      3   0.440022D+01 -0.144252D+01  0.570561D+01 -0.862676D+01  0.137517D+01
               196           197           198           199           200 
      1  -0.666938D+00 -0.321085D+01  0.498550D-01  0.583729D+00 -0.112184D+01
      2   0.762103D-03  0.856125D+00 -0.709823D+00 -0.178881D+01  0.314548D+00
      3   0.139341D+01 -0.112799D+01 -0.756124D+00 -0.110236D+01 -0.970259D+00
               201           202           203           204           205 
      1   0.114097D+01 -0.591861D+00  0.132565D+00  0.261512D+01 -0.147424D+00
      2  -0.909820D+00 -0.107529D+01 -0.160429D+01 -0.428943D+00 -0.327421D+01
      3  -0.117270D+01 -0.285082D+00 -0.107197D+01  0.124063D+01 -0.290626D+01
               206           207           208           209           210 
      1  -0.655401D+00  0.126955D+02 -0.232607D+00  0.464102D+01  0.576566D+00
      2   0.124174D+01 -0.870739D+01 -0.332935D+01 -0.221457D+01  0.253283D-02
      3   0.240822D+00 -0.139262D+01  0.450140D+01  0.456536D+01  0.148687D+01
               211           212           213           214           215 
      1   0.122513D+01  0.665922D+01 -0.142655D+01  0.524473D+00 -0.329331D+01
      2  -0.295516D+01 -0.321419D+01 -0.133996D+01 -0.431982D-01 -0.706093D+00
      3   0.589208D+01  0.818001D+01  0.130012D+01 -0.145214D+01 -0.107416D+01
               216           217           218           219           220 
      1  -0.806942D-01 -0.734402D+00 -0.111654D+01 -0.107057D+01 -0.514228D+00
      2  -0.707148D+00 -0.172601D+01 -0.261620D+00 -0.847480D+00  0.110445D+01
      3   0.753037D+00  0.105167D+01 -0.964812D+00  0.123058D+01 -0.279444D+00
               221           222           223           224           225 
      1  -0.128590D+00  0.265579D+01 -0.282388D-01 -0.735789D+00 -0.130578D+02
      2  -0.163890D+01  0.340669D+00 -0.331880D+01 -0.108015D+01 -0.814187D+01
      3   0.112664D+01  0.118546D+01  0.291614D+01  0.117339D+00  0.141026D+01
               226           227           228           229           230 
      1   0.234874D+01  0.289123D+01  0.322821D+00  0.393379D+01  0.719284D+01
      2  -0.226565D+01 -0.174303D+01  0.189515D+01 -0.517207D+01 -0.157778D+01
      3  -0.304604D+01 -0.517186D+01 -0.477769D+00 -0.371668D+01 -0.993573D+01
               231           232           233           234           235 
      1   0.752978D-01 -0.105009D+01 -0.523506D+00  0.418046D+00  0.204713D+01
      2   0.115974D+00  0.354851D+01  0.923820D+00  0.766085D+00  0.713916D+00
      3  -0.113369D+01  0.401743D+00  0.234293D+01 -0.644145D+00 -0.153600D+01
               236           237           238           239           240 
      1  -0.875343D+00  0.827297D+00  0.696720D-01  0.746956D+00  0.628011D+00
      2  -0.747213D+00 -0.294368D+01  0.678729D+00  0.181354D+01  0.516761D+00
      3   0.329200D-01 -0.498023D+00  0.689263D+00 -0.663879D+00 -0.161533D+01
               241           242           243           244           245 
      1  -0.887463D+00  0.305022D+01  0.103131D+01 -0.697671D+01  0.341522D+01
      2   0.515364D-01  0.225340D+01  0.153389D+02 -0.167937D+01 -0.108272D+01
      3   0.125705D+01 -0.266217D+01 -0.158942D+01  0.830046D+01 -0.148895D+01
               246           247           248           249           250 
      1  -0.773565D+01  0.536426D+01  0.877426D+01 -0.443833D+01 -0.613190D+01
      2  -0.948368D-02  0.447687D-01  0.211031D+01  0.762217D+00 -0.334131D+01
      3   0.528862D+01  0.463602D+01 -0.143345D+01 -0.736038D+01  0.986131D+01
               251           252           253           254           255 
      1  -0.133559D+01 -0.119815D+01  0.414438D+01  0.299527D+01 -0.108288D+01
      2  -0.272659D-01 -0.278337D+00 -0.124303D+02  0.121359D+02  0.123388D+02
      3  -0.728984D+01  0.628414D+01  0.169048D+02 -0.206140D+02 -0.127467D+02
               256           257           258           259           260 
      1  -0.138831D+00 -0.125764D+02  0.450674D+01 -0.622278D+01  0.204351D+02
      2   0.502307D+01 -0.243515D+00  0.308147D+01 -0.146208D+01  0.108921D+02
      3  -0.487549D+01 -0.858917D+01  0.156860D+01 -0.700159D+01 -0.127018D+01
               261           262           263           264           265 
      1   0.131914D+02  0.513118D+01 -0.358435D+01 -0.374074D+01 -0.163866D+01
      2   0.952887D+01  0.701883D+01  0.558414D+00 -0.133507D+01 -0.220303D+01
      3  -0.249098D+01  0.119541D+02 -0.327294D+01 -0.522353D+01 -0.307479D+01
               266           267           268           269           270 
      1   0.286307D+01 -0.611953D-01 -0.310075D+01  0.118244D+01  0.290089D+01
      2  -0.632116D+00  0.687760D+00 -0.939641D+00  0.230138D+00  0.282303D+00
      3   0.236316D+01  0.141819D+01 -0.248793D+01 -0.269748D+00  0.300535D+01
               271           272           273           274           275 
      1   0.136542D+01  0.125088D+01  0.372545D+01 -0.520542D+00  0.344501D+00
      2  -0.144920D+01  0.283336D+01 -0.460675D+01  0.114408D+01  0.298085D+00
      3  -0.540042D+00  0.277566D+01 -0.303443D+01  0.176118D+01  0.802876D+00
               276           277           278           279           280 
      1  -0.565027D+00  0.706209D+00  0.525636D+00  0.898955D+01 -0.665859D+01
      2  -0.841135D-01 -0.282903D+01  0.202293D+01 -0.785825D+01  0.249462D+01
      3   0.427564D+00 -0.142683D+01  0.208748D+01 -0.221646D+01  0.140910D+02
               281           282           283           284           285 
      1  -0.125446D+01 -0.546660D+01 -0.463570D+00 -0.114702D+01 -0.949768D+00
      2   0.525679D+00  0.363507D+01  0.873703D-01  0.490786D+00  0.102119D+00
      3  -0.117279D+01  0.571810D+01 -0.782371D-01  0.472934D+01 -0.252093D+00
               286           287           288           289           290 
      1  -0.618879D+01 -0.761087D+00 -0.871623D+01  0.867804D-01  0.438143D+00
      2   0.119624D+01  0.130637D+01  0.335824D+01  0.146397D+00  0.291312D+00
      3   0.979236D+01 -0.517420D+00  0.491154D+01  0.217109D+01  0.353288D+01
               291           292           293           294           295 
      1  -0.181088D+01  0.165423D+01  0.384233D+01 -0.713449D+01 -0.156896D+01
      2   0.803465D+00  0.292348D+00 -0.174372D+01  0.175201D+01 -0.812988D+00
      3  -0.101110D+01  0.530712D+01 -0.294062D+01  0.153851D+00 -0.941198D+00
               296           297           298           299           300 
      1  -0.177887D+01  0.697509D+01  0.239469D-02  0.246519D+00  0.152218D+01
      2   0.161557D+01 -0.173824D+01  0.117216D+00 -0.385526D+00  0.657475D+00
      3   0.368542D+01  0.346222D+00 -0.176952D+01  0.374548D+01  0.101829D+01
               301           302           303           304           305 
      1   0.146680D+01 -0.399891D+01 -0.727937D+01  0.144899D+01 -0.191779D+01
      2  -0.438875D+00 -0.153651D+01 -0.146409D+01 -0.947857D+00 -0.149255D+01
      3   0.551753D+01  0.253468D+01  0.105362D+00  0.110362D+01  0.364003D+01
               306           307           308           309           310 
      1  -0.704402D+01  0.666767D+01 -0.153778D+01  0.556936D+01 -0.717439D+00
      2  -0.142739D+01  0.216778D+01 -0.548758D+00  0.338166D+01 -0.140784D+00
      3  -0.347404D+00 -0.141268D+02 -0.731259D+00 -0.571659D+01  0.354832D+00
               311           312           313           314           315 
      1   0.123885D+01 -0.120829D+01  0.618458D+01 -0.110246D+01  0.885016D+01
      2   0.463259D+00 -0.211984D+00  0.860465D+00 -0.130834D+01  0.296732D+01
      3  -0.467203D+01  0.114308D-01 -0.979683D+01 -0.598034D-01 -0.490528D+01
               316           317           318           319           320 
      1  -0.503166D+01 -0.350061D+01  0.366882D+01 -0.143793D+01 -0.265108D+01
      2   0.729668D+01 -0.753689D+00 -0.152835D+01  0.191509D+01 -0.576995D+00
      3  -0.122016D+02 -0.281803D+01  0.528730D+01 -0.262123D+01 -0.208926D+01
               321           322           323           324           325 
      1  -0.258542D+00  0.310156D+01  0.102895D+01 -0.289180D+01 -0.139876D+01
      2  -0.615635D+00 -0.109935D+01 -0.235285D+00  0.404769D+00 -0.153999D+01
      3   0.118251D+01  0.247878D+01 -0.382532D+00 -0.300603D+01  0.734876D+00
               326           327           328           329           330 
      1   0.116149D+01 -0.394877D+01 -0.530348D+00 -0.344696D+00 -0.379597D+00
      2  -0.280583D+01 -0.441818D+01 -0.105197D+01  0.492277D+00  0.299893D+00
      3   0.270741D+01  0.304726D+01  0.169383D+01 -0.999458D+00  0.294714D+00
               331           332           333 
      1  -0.801441D+00  0.467251D+00 -0.931508D+01
      2  -0.286587D+01 -0.192337D+01 -0.743923D+01
      3   0.149816D+01  0.203085D+01  0.221077D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.428184D+02 -0.731989D+01 -0.241544D+02 -0.313815D+01  0.179021D+02
      2   0.271437D+02  0.867041D+01  0.133621D+02  0.652352D+01 -0.936071D+01
      3   0.156746D+02 -0.135051D+01  0.107922D+02 -0.338537D+01 -0.854142D+01
      4  -0.178518D+02  0.825898D+01 -0.852442D+01  0.105086D+02  0.504578D+01
      5  -0.270941D+02 -0.205533D+01 -0.513184D+01  0.293084D+01 -0.846686D+01
      6  -0.749376D+01  0.552211D+01  0.165618D+00  0.392474D+01 -0.928613D+01
                 6             7             8             9            10 
      1   0.712619D+01 -0.191680D+02  0.604790D+01 -0.785456D+00  0.943328D+01
      2  -0.937962D+01  0.108475D+02 -0.811984D+01 -0.347461D+01 -0.647192D+01
      3   0.225344D+01  0.832051D+01  0.207194D+01  0.426007D+01 -0.296136D+01
      4  -0.835204D+01 -0.433871D+01 -0.611182D+01 -0.357419D+01 -0.184103D+01
      5  -0.460699D+01 -0.576223D+01 -0.315250D+01  0.203778D+01  0.113557D+02
      6  -0.909044D+01  0.613869D-01 -0.705112D+01 -0.864952D+00  0.852677D+01
                11            12            13            14            15 
      1   0.212871D+01  0.137038D+02  0.274910D+00 -0.170389D+02 -0.286091D+01
      2  -0.107919D+02 -0.552042D+01 -0.112848D+02  0.406515D+01  0.101373D+02
      3   0.866320D+01 -0.818334D+01  0.110099D+02  0.129737D+02 -0.727643D+01
      4  -0.230104D+02  0.706976D+01 -0.274003D+02 -0.239436D+02  0.183223D+02
      5   0.103407D+00 -0.880925D+01  0.155989D+01  0.207701D+02  0.393512D+01
      6   0.505290D+01 -0.849507D+00  0.100536D+02  0.118001D+02 -0.280405D+01
                16            17            18            19            20 
      1   0.965079D+01 -0.422976D+01 -0.522155D+01  0.200293D+01  0.345588D+01
      2  -0.303182D+01  0.964230D+01  0.177647D+01 -0.501788D+01  0.149949D+01
      3  -0.661898D+01 -0.541254D+01  0.344508D+01  0.301496D+01 -0.495537D+01
      4   0.443560D+01  0.141341D+02  0.663717D+00  0.795581D+01  0.139628D+02
      5  -0.749332D+01  0.221519D+01 -0.110134D+01 -0.429880D+01 -0.276627D+01
      6  -0.111783D+01 -0.373825D+01 -0.237936D+01 -0.769213D+01 -0.637869D+01
                21            22            23            24            25 
      1  -0.720055D+01 -0.143323D+01  0.153182D+02 -0.764350D+00 -0.132769D+01
      2   0.459836D+01  0.400176D+01 -0.184810D+02  0.242432D+01  0.178182D+01
      3   0.260218D+01 -0.256854D+01  0.316284D+01 -0.165997D+01 -0.454126D+00
      4  -0.903262D+01  0.861051D+01  0.862353D+01 -0.492301D+01 -0.456920D+01
      5   0.429673D+01 -0.109799D+01 -0.661778D+01  0.249581D+01  0.466001D+01
      6   0.207103D+01 -0.648775D+01 -0.788421D+00  0.510891D+01  0.834253D+00
                26            27            28            29            30 
      1  -0.138531D+01  0.978480D+01 -0.890219D+01  0.882870D-01  0.465387D+01
      2   0.139182D+01  0.448114D+01  0.220249D+01 -0.801954D-01 -0.591630D+01
      3  -0.650433D-02 -0.142659D+02  0.669970D+01 -0.809167D-02  0.126243D+01
      4  -0.191282D+01  0.138815D+01  0.555716D-01 -0.442173D+01 -0.350059D+00
      5   0.539078D+00  0.542788D+01  0.287850D+01 -0.205624D+00 -0.197477D+01
      6   0.372326D+01  0.536660D+01 -0.195558D+00 -0.333871D+01 -0.165205D-02
                31            32            33            34            35 
      1  -0.159757D-01  0.169611D+01 -0.365435D+00  0.778423D+01 -0.518853D+00
      2   0.244967D-01 -0.770641D+01  0.402207D+00 -0.848403D+01  0.537474D+00
      3  -0.852094D-02  0.601030D+01 -0.367725D-01  0.699793D+00 -0.186207D-01
      4  -0.585606D+01 -0.196305D-01 -0.597275D+01 -0.531388D+00 -0.818205D+01
      5  -0.194090D+00 -0.347193D+01  0.590318D-02  0.442424D+01 -0.231427D-01
      6  -0.317267D+01  0.235646D+00 -0.161461D+01 -0.203387D-01  0.329690D+01
                36            37            38            39            40 
      1  -0.229900D+00  0.130070D+01 -0.168054D+01 -0.637001D+01  0.274576D+01
      2  -0.550009D+00 -0.463337D+01 -0.328212D+01  0.371612D+01 -0.532081D+01
      3   0.779909D+00  0.333267D+01  0.496266D+01  0.265389D+01  0.257505D+01
      4  -0.185886D-02 -0.725988D+01  0.138733D+02  0.926670D+01  0.819913D+01
      5   0.825567D+00 -0.381034D+01  0.235369D+01  0.409643D+01  0.681641D+00
      6  -0.250209D-01  0.728662D+01 -0.673826D+01 -0.203352D+01 -0.677336D+01
                41            42            43            44            45 
      1   0.144627D+02  0.604091D+00 -0.885424D+00  0.125765D+01  0.967432D+01
      2  -0.173077D+02 -0.210036D+01  0.134905D+01 -0.122835D+01  0.459066D+01
      3   0.284502D+01  0.149627D+01 -0.463629D+00 -0.292981D-01 -0.142650D+02
      4  -0.110309D+02 -0.543964D+01  0.461665D+01 -0.222942D+01 -0.160114D+01
      5  -0.670919D+01 -0.242312D+01  0.459965D+01 -0.549056D+00  0.517492D+01
      6   0.168890D+01  0.530052D+01 -0.870677D+00  0.376848D+01 -0.563616D+01
                46            47            48            49            50 
      1   0.927648D+01 -0.511977D+01  0.132156D+02 -0.363987D+01 -0.145437D+02
      2  -0.547964D+01  0.130732D+02 -0.538657D+01  0.139519D+02  0.735362D+00
      3  -0.379684D+01 -0.795346D+01 -0.782906D+01 -0.103121D+02  0.138083D+02
      4  -0.949231D+00 -0.212421D+02 -0.708372D+01 -0.256667D+02  0.269011D+02
      5   0.109281D+02  0.531092D+00 -0.894196D+01 -0.703621D+00  0.202447D+02
      6  -0.835462D+01  0.484986D+01  0.111771D+01  0.990848D+01 -0.133479D+02
                51            52            53            54            55 
      1   0.385800D+01  0.945706D+01  0.502684D+01 -0.528601D+01 -0.405786D+02
      2  -0.114931D+02 -0.310479D+01 -0.107246D+02  0.185268D+01  0.247305D+02
      3   0.763513D+01 -0.635227D+01  0.569772D+01  0.343332D+01  0.158481D+02
      4   0.179943D+02 -0.435911D+01  0.136596D+02 -0.385794D+00  0.214979D+02
      5  -0.370499D+01 -0.753373D+01 -0.209348D+01 -0.962183D+00 -0.267103D+02
      6  -0.266369D+01  0.127466D+01 -0.367200D+01  0.242843D+01  0.903198D+01
                56            57            58            59            60 
      1   0.104640D+02 -0.236484D+02  0.645869D+01  0.167730D+02 -0.682451D+01
      2  -0.107675D+02  0.129665D+02 -0.881143D+01 -0.806780D+01  0.952118D+01
      3   0.303475D+00  0.106819D+02  0.235274D+01 -0.870520D+01 -0.269667D+01
      4   0.634193D+01  0.974569D+01  0.887504D+01 -0.690924D+01 -0.802151D+01
      5   0.307554D+01 -0.491719D+01 -0.198972D+01 -0.806395D+01  0.443475D+01
      6   0.545322D+01 -0.361995D+00  0.407879D+01  0.923108D+01 -0.928180D+01
                61            62            63            64            65 
      1  -0.189717D+02 -0.575055D+01 -0.439347D+00  0.104091D+02 -0.657053D+01
      2   0.107647D+02  0.815969D+01 -0.380790D+01 -0.961104D+01  0.572707D+01
      3   0.820696D+01 -0.240914D+01  0.424725D+01 -0.798105D+00  0.843464D+00
      4   0.534437D+01 -0.570202D+01  0.344507D+01 -0.203799D+02 -0.549810D+01
      5  -0.560204D+01  0.310222D+01  0.206674D+01  0.111599D+02 -0.491395D+01
      6  -0.135514D+00 -0.720268D+01  0.797506D+00 -0.359792D+01 -0.423054D+01
                66            67            68            69            70 
      1   0.641227D+01 -0.109187D+02 -0.824062D+01 -0.372934D+01  0.333818D+01
      2  -0.616751D+01  0.755951D+01  0.157368D+01  0.162875D+01 -0.296260D+01
      3  -0.244765D+00  0.335924D+01  0.666694D+01  0.210058D+01 -0.375581D+00
      4  -0.858548D+01  0.105218D+01 -0.514850D+01  0.693145D+01 -0.405587D+01
      5   0.736201D+01 -0.571895D+01  0.218482D+01 -0.123074D+01  0.463743D+01
      6  -0.122197D+01 -0.203538D+01 -0.203884D+01  0.298183D+01 -0.103906D+01
                71            72            73            74            75 
      1  -0.134611D+01  0.801477D+01  0.128049D+02  0.520049D+01  0.731241D+01
      2   0.283286D+01  0.742225D+01 -0.118600D+02 -0.468323D+01 -0.697572D+01
      3  -0.148675D+01 -0.154370D+02 -0.944886D+00 -0.517265D+00 -0.336690D+00
      4   0.217731D+01 -0.423711D+01  0.191512D+02 -0.661588D+01  0.828947D+01
      5  -0.154815D+01 -0.767523D+01  0.117400D+02  0.432693D+01  0.746527D+01
      6   0.348476D+01  0.689917D+00  0.283048D+01 -0.448605D+01  0.102750D+01
                76            77            78            79            80 
      1   0.101203D+02 -0.851301D+01  0.401871D+01  0.375485D+01  0.135833D+01
      2  -0.708348D+01  0.167713D+01 -0.192460D+01 -0.343763D+01 -0.286339D+01
      3  -0.303680D+01  0.683588D+01 -0.209411D+01 -0.317218D+00  0.150506D+01
      4  -0.367055D+00  0.580706D+01  0.632504D+01  0.382474D+01  0.181964D+01
      5   0.523474D+01  0.183044D+01  0.103796D+01  0.476810D+01  0.150061D+01
      6  -0.232543D+01  0.223309D+01  0.288519D+01  0.989648D+00  0.337453D+01
                81            82            83            84            85 
      1   0.840031D+01 -0.717614D+01 -0.332618D+01  0.991042D+01 -0.664023D+01
      2   0.704789D+01  0.100103D+02  0.334331D+01 -0.293133D+01  0.102944D+02
      3  -0.154482D+02 -0.283420D+01 -0.171322D-01 -0.697909D+01 -0.365414D+01
      4   0.419766D+01 -0.647831D+01  0.185256D+01  0.533632D+01  0.170219D+01
      5  -0.770653D+01  0.875637D+01 -0.129796D+01 -0.222605D+01 -0.155611D+01
      6  -0.368169D+00  0.524942D+01 -0.417813D+01  0.478306D+01 -0.322729D+01
                86            87            88            89            90 
      1  -0.180495D+02  0.856590D+01  0.649910D+01  0.415754D+01  0.290767D+01
      2   0.191728D+02 -0.161520D+02  0.475913D+00 -0.718441D+01  0.511170D+01
      3  -0.112330D+01  0.758609D+01 -0.697501D+01  0.302687D+01 -0.801938D+01
      4   0.512841D+01 -0.307476D+01  0.605543D+01 -0.240886D+01  0.294754D+01
      5  -0.692383D+01  0.181437D+01 -0.105060D+01  0.600867D+00 -0.195991D+01
      6  -0.122390D+02  0.454901D+01  0.399155D+01  0.224890D+01  0.666610D+01
                91            92            93            94            95 
      1  -0.218070D+01  0.232933D+01 -0.659021D+01  0.703561D+01  0.173173D+02
      2   0.279920D+00 -0.409796D+01  0.431843D+01 -0.126375D+02 -0.236245D+02
      3   0.190078D+01  0.176863D+01  0.227179D+01  0.560193D+01  0.630720D+01
      4  -0.792810D+01 -0.272771D+01 -0.116793D+02 -0.421375D+01 -0.115478D+02
      5  -0.575480D+01 -0.156450D+01 -0.321354D+01 -0.101139D+01  0.696864D+01
      6  -0.118554D+02  0.339648D+01 -0.909420D+01  0.399127D+01  0.293333D+02
                96            97            98            99           100 
      1  -0.155644D+02 -0.904435D+01 -0.198646D+02  0.265741D+01  0.699624D+02
      2   0.294230D+02  0.724717D+01  0.324135D+02 -0.682705D+01 -0.377871D+02
      3  -0.138586D+02  0.179718D+01 -0.125490D+02  0.416964D+01 -0.321753D+02
      4   0.526661D+01 -0.131353D+02  0.813680D+01 -0.117742D+02 -0.318948D+02
      5  -0.656263D+00 -0.448988D+01 -0.330635D+01 -0.384640D+00  0.317887D+02
      6  -0.973335D+01 -0.116371D+02 -0.123258D+02  0.184389D+01 -0.962662D+01
               101           102           103           104           105 
      1  -0.972175D+01  0.191712D+02  0.178880D+01  0.527975D+01  0.218523D+01
      2   0.257144D+01 -0.129165D+02 -0.438376D+01 -0.154022D+01 -0.332586D+01
      3   0.715031D+01 -0.625478D+01  0.259496D+01 -0.373953D+01  0.114063D+01
      4   0.138269D+02 -0.909531D+01  0.103205D+02 -0.525235D+01  0.415194D+01
      5  -0.509483D+01  0.186587D+02  0.518177D+00  0.508512D+01 -0.708739D+00
      6   0.343160D+01 -0.655773D+01  0.282734D+01 -0.311305D+01  0.363111D+01
               106           107           108           109           110 
      1   0.148254D+02 -0.718398D+00  0.107700D+02 -0.245891D+01 -0.910950D+01
      2  -0.119323D+02 -0.648252D+00 -0.897051D+01  0.252337D+01  0.850824D+01
      3  -0.289307D+01  0.136665D+01 -0.179946D+01 -0.644585D-01  0.601261D+00
      4  -0.834757D+01  0.455349D+01 -0.702137D+01 -0.210976D-01 -0.123718D+01
      5   0.207510D+02 -0.419261D+01  0.133924D+02  0.296826D+01 -0.545009D+00
      6  -0.715418D+01  0.446792D+01 -0.484509D+01 -0.485124D+01 -0.578244D+01
               111           112           113           114           115 
      1   0.873439D+01 -0.581697D+01 -0.187381D+02  0.963408D+01  0.594624D+01
      2  -0.466140D+01  0.361555D+01  0.239641D+02 -0.874464D+01 -0.276318D+01
      3  -0.407299D+01  0.220142D+01 -0.522603D+01 -0.889442D+00 -0.318306D+01
      4  -0.192469D+01  0.523826D+01 -0.145102D+02  0.692366D+01 -0.490327D+01
      5  -0.106539D+01 -0.247819D+01  0.709776D+01 -0.901740D+01  0.348065D+01
      6   0.540229D+01 -0.262606D+00 -0.177886D+02  0.144159D+02  0.256662D+00
               116           117           118           119           120 
      1   0.754641D+01 -0.956954D+01  0.148843D+02 -0.944145D+01 -0.524085D+01
      2  -0.587614D+01  0.436955D+01 -0.597304D+00 -0.316105D+01  0.132208D+01
      3  -0.167027D+01  0.519999D+01 -0.142870D+02  0.126025D+02  0.391877D+01
      4   0.706654D+01 -0.530190D+01 -0.244957D+02  0.234970D+02  0.784940D+01
      5  -0.646380D+01  0.810030D+01 -0.110202D+02  0.728877D+01  0.895177D+01
      6   0.127413D+02 -0.131394D+02  0.724780D+01 -0.586584D+01 -0.484068D+01
               121           122           123           124           125 
      1  -0.923803D+01  0.951487D-01 -0.139678D+01 -0.392087D+01 -0.155201D+01
      2  -0.834892D+01  0.238998D+02  0.649689D+01  0.121761D+01  0.368555D+01
      3   0.175869D+02 -0.239949D+02 -0.510011D+01  0.270325D+01 -0.213354D+01
      4   0.333511D+02 -0.453119D+02 -0.152877D+02  0.885811D+01 -0.120249D+02
      5   0.101867D+02 -0.152019D+02 -0.104138D+02  0.116504D+02 -0.107338D+02
      6  -0.103004D+02  0.177677D+02  0.116212D+02 -0.795773D+01  0.120577D+02
               126           127           128           129           130 
      1   0.872895D+00  0.223599D+02  0.718325D+01 -0.974616D+01  0.159915D+02
      2   0.136547D+01 -0.159156D+02 -0.672327D+01  0.825676D+01 -0.134821D+02
      3  -0.223836D+01 -0.644434D+01 -0.459979D+00  0.148939D+01 -0.250940D+01
      4  -0.114636D+02  0.155168D+01  0.719895D+01  0.756408D-01  0.640761D+01
      5  -0.904736D+01 -0.150814D+02 -0.365237D+01  0.127621D+02 -0.924621D+01
      6   0.853862D+01  0.118449D+01 -0.197048D+01 -0.212267D+01 -0.257399D+01
               131           132           133           134           135 
      1   0.838805D+01 -0.528938D+01 -0.985337D+01 -0.143322D+01  0.621650D+01
      2  -0.775362D+01  0.857215D+01  0.935714D+01  0.475607D+01 -0.106384D+02
      3  -0.634432D+00 -0.328277D+01  0.496227D+00 -0.332285D+01  0.442189D+01
      4   0.859239D+01 -0.695643D+01  0.190977D+01 -0.623037D+01  0.245484D+01
      5  -0.968564D+01  0.119617D+02  0.133546D+02  0.525685D+01 -0.149599D+02
      6  -0.173315D+01  0.218674D+00 -0.151745D+01  0.259156D+01  0.142189D+01
               136           137           138           139           140 
      1   0.180011D+02  0.108648D+02 -0.591265D+01  0.115337D+02  0.308768D+01
      2  -0.238256D+01  0.209552D+01  0.177000D+01  0.641199D+01  0.195622D+02
      3  -0.156186D+02 -0.129604D+02  0.414265D+01 -0.179457D+02 -0.226499D+02
      4   0.262163D+02  0.239934D+02 -0.821349D+01  0.340509D+02  0.436621D+02
      5  -0.121391D+02 -0.771157D+01  0.962810D+01 -0.108050D+02 -0.151742D+02
      6  -0.745593D+01 -0.596638D+01  0.493264D+01 -0.102762D+02 -0.164068D+02
               141           142           143           144           145 
      1   0.306429D+00 -0.466901D+01  0.695472D+00  0.187258D+01  0.212374D+02
      2  -0.523232D+01  0.186639D+01 -0.271374D+01  0.364218D+00 -0.149030D+02
      3   0.492589D+01  0.280262D+01  0.201827D+01 -0.223680D+01 -0.633442D+01
      4  -0.152428D+02 -0.914597D+01 -0.118406D+02  0.114571D+02 -0.254903D+01
      5   0.105163D+02  0.124813D+02  0.107334D+02 -0.943015D+01 -0.145643D+02
      6   0.109620D+02  0.795154D+01  0.112545D+02 -0.815369D+01 -0.742906D+00
               146           147           148           149           150 
      1  -0.713407D+01 -0.951125D+01 -0.160144D+02  0.861920D+01  0.508413D+01
      2   0.642259D+01  0.787031D+01  0.132360D+02 -0.783266D+01 -0.828956D+01
      3   0.711480D+00  0.164094D+01  0.277835D+01 -0.786546D+00  0.320543D+01
      4   0.750251D+01  0.378526D+00  0.739026D+01 -0.995067D+01 -0.756105D+01
      5   0.377873D+01  0.123078D+02  0.934787D+01 -0.101693D+02 -0.124792D+02
      6  -0.200741D+01  0.159623D+01 -0.285607D+01  0.237530D+01  0.672077D+00
               151           152           153           154           155 
      1  -0.993511D+01  0.131024D+01  0.597595D+01  0.727902D+02  0.802246D+01
      2   0.928689D+01 -0.460488D+01 -0.103693D+02 -0.402534D+02 -0.210205D+01
      3   0.648219D+00  0.329464D+01  0.439334D+01 -0.325368D+02 -0.592040D+01
      4  -0.135100D+01 -0.642322D+01 -0.317755D+01  0.281504D+02  0.122607D+02
      5   0.131608D+02 -0.571139D+01 -0.149642D+02  0.323538D+02  0.408617D+01
      6   0.105307D+01  0.277649D+01 -0.758028D+00  0.851614D+01  0.297328D+01
               156           157           158           159           160 
      1   0.198112D+02 -0.375000D+01  0.540775D+01 -0.266570D+01  0.155578D+02
      2  -0.135065D+02  0.511799D+01 -0.202960D+01  0.354102D+01 -0.125950D+02
      3  -0.630467D+01 -0.136799D+01 -0.337815D+01 -0.875326D+00 -0.296285D+01
      4   0.787869D+01  0.956121D+01  0.397379D+01  0.404810D+01  0.738200D+01
      5   0.189634D+02 -0.154804D+01  0.506285D+01  0.590115D-01  0.212363D+02
      6   0.590810D+01  0.261149D+01  0.264918D+01  0.335087D+01  0.644782D+01
               161           162           163           164           165 
      1   0.452179D+00  0.113515D+02 -0.182310D+01  0.831388D+01  0.848441D+01
      2   0.795428D+00 -0.955135D+01  0.202301D+01 -0.749862D+01 -0.445369D+01
      3  -0.124761D+01 -0.180014D+01 -0.199906D+00 -0.815261D+00 -0.403072D+01
      4   0.423425D+01  0.616038D+01  0.393015D+00 -0.130983D+01  0.167134D+01
      5   0.348311D+01  0.136150D+02  0.330494D+01  0.493023D+00 -0.881856D+00
      6   0.401519D+01  0.427667D+01  0.448204D+01 -0.524585D+01 -0.474089D+01
               166           167           168           169           170 
      1   0.560950D+01 -0.180522D+02 -0.937324D+01  0.605847D+01 -0.717274D+01
      2  -0.318473D+01  0.231631D+02  0.831692D+01 -0.294628D+01  0.537274D+01
      3  -0.242477D+01 -0.511094D+01  0.105632D+01 -0.311219D+01  0.180000D+01
      4   0.551955D+01  0.161545D+02  0.761791D+01  0.483669D+01  0.740653D+01
      5   0.266856D+01  0.772283D+01  0.966982D+01  0.376367D+01  0.684240D+01
      6   0.181145D+00  0.177060D+02  0.142219D+02  0.124504D+00  0.124475D+02
               171           172           173           174           175 
      1  -0.907213D+01  0.129736D+02 -0.601466D+01  0.560623D+00 -0.121768D+02
      2   0.389195D+01 -0.505185D+01  0.230826D+01 -0.976186D+00  0.679458D+01
      3   0.518018D+01 -0.792172D+01  0.370640D+01  0.415562D+00  0.538223D+01
      4   0.587431D+01 -0.107074D+02  0.113523D+02 -0.242112D+01  0.911877D+01
      5   0.863638D+01  0.377801D+01 -0.288641D+01  0.354758D+01 -0.860587D+01
      6   0.127541D+02 -0.297590D+01  0.369409D+01 -0.135606D+01  0.437376D+01
               176           177           178           179           180 
      1   0.412205D+01 -0.250920D+01 -0.611728D+01  0.102457D+01 -0.114598D+01
      2   0.895678D+00  0.405604D+01  0.302477D+01  0.776958D+00 -0.761855D+00
      3  -0.501773D+01 -0.154684D+01  0.309251D+01 -0.180152D+01  0.190783D+01
      4  -0.175237D+02  0.207184D+01 -0.190000D+01 -0.233510D+01 -0.362929D+01
      5   0.302045D+01 -0.602034D+01  0.293106D+00 -0.289013D+01  0.751596D+00
      6  -0.655791D+01  0.223110D+01 -0.115074D+01  0.100515D+01 -0.164548D+01
               181           182           183           184           185 
      1  -0.304568D+01 -0.207471D+00  0.335537D+01  0.243549D+00 -0.111272D+01
      2   0.889412D+00 -0.482985D+00  0.159898D+01 -0.184464D+00 -0.187650D+01
      3   0.215627D+01  0.690457D+00 -0.495435D+01 -0.590852D-01  0.298922D+01
      4  -0.281063D+01  0.589058D+00 -0.443265D+00  0.326670D+01 -0.277277D+00
      5  -0.954986D+00 -0.378529D+00  0.926694D+00 -0.406519D+00  0.285334D+01
      6   0.301104D+00  0.568628D+00 -0.167050D-01  0.169041D+01 -0.351368D+00
               186           187           188           189           190 
      1  -0.557394D-01  0.284182D+01  0.189354D+01 -0.166510D+02 -0.406011D+01
      2   0.721697D+00 -0.669997D+01  0.169850D+01 -0.190606D+02  0.546982D+01
      3  -0.665957D+00  0.385815D+01 -0.359204D+01  0.357117D+02 -0.140971D+01
      4   0.325306D+01  0.148710D+01  0.464060D+01 -0.333977D+01 -0.478877D+01
      5  -0.547442D+00  0.909279D+01 -0.228544D+01  0.232405D+02  0.294887D+01
      6   0.541371D+01  0.305084D+00  0.370883D+01  0.829010D+00  0.293961D+00
               191           192           193           194           195 
      1   0.660106D+01 -0.189283D+01  0.679145D+01 -0.202973D+02  0.476109D+01
      2  -0.845504D+01  0.115986D+01 -0.633444D+01  0.312800D+02 -0.385683D+01
      3   0.185398D+01  0.732971D+00 -0.457008D+00 -0.109827D+02 -0.904264D+00
      4   0.572582D+00  0.170395D+01  0.648168D+01  0.241858D+01 -0.770291D+00
      5  -0.407301D+00 -0.680965D+00 -0.299528D+01  0.162888D+01  0.124563D+01
      6   0.640076D+01 -0.320487D+01  0.114862D+01 -0.120202D+02  0.686206D+01
               196           197           198           199           200 
      1   0.165086D+01  0.611813D+00 -0.430730D+01 -0.500395D+00  0.143397D+01
      2  -0.130018D+01  0.299889D+01  0.220924D+01 -0.237919D+01 -0.101341D+01
      3  -0.350690D+00 -0.361070D+01  0.209806D+01  0.287958D+01 -0.420564D+00
      4   0.321111D+01  0.356017D+01 -0.160193D+01  0.420169D+00 -0.371787D+00
      5  -0.750977D+00 -0.174450D+00  0.568806D+00 -0.184263D+01 -0.143915D+00
      6  -0.202283D+01  0.268877D+01 -0.183299D+01 -0.607238D+00  0.196284D+01
               201           202           203           204           205 
      1  -0.324913D+01 -0.119616D+01 -0.390041D+01  0.270287D+00 -0.327365D+01
      2   0.932918D+00  0.115561D+01  0.173436D+01 -0.434625D+01  0.303239D+01
      3   0.231621D+01  0.405472D-01  0.216605D+01  0.407597D+01  0.241261D+00
      4  -0.104222D+01 -0.173872D+01 -0.305858D+01 -0.183877D-01 -0.427912D+01
      5   0.403500D+01  0.835607D+00  0.319226D+00 -0.208234D+01  0.447904D+01
      6  -0.163097D+01  0.167395D+01 -0.738720D+00  0.235311D+01  0.113319D+01
               206           207           208           209           210 
      1   0.499320D+01 -0.203642D+02 -0.422261D+01 -0.721482D+01 -0.222461D+01
      2  -0.376542D+00 -0.142866D+02  0.570860D+01  0.949768D+01  0.146063D+01
      3  -0.461666D+01  0.346508D+02 -0.148599D+01 -0.228285D+01  0.763977D+00
      4  -0.325325D+01 -0.186217D+00  0.553107D+01  0.982564D+00 -0.158496D+01
      5   0.339310D+01 -0.143824D+02  0.308624D+01  0.645284D+00 -0.582266D+00
      6   0.802917D+01 -0.185250D+02 -0.851593D-01  0.687745D+01  0.352078D+01
               211           212           213           214           215 
      1  -0.690517D+01 -0.198096D+02 -0.468874D+01  0.136035D+01 -0.330649D+00
      2   0.687247D+01  0.307381D+02  0.381298D+01 -0.116571D+01 -0.330408D+01
      3   0.326982D-01 -0.109285D+02  0.875760D+00 -0.194643D+00  0.363473D+01
      4   0.677852D+01 -0.497997D+00 -0.320271D+00 -0.318850D+01  0.358448D+01
      5   0.299497D+01  0.199906D+01 -0.920138D+00 -0.659157D+00  0.314918D+00
      6   0.153572D+01  0.115245D+02  0.673337D+01  0.216644D+01  0.257109D+01
               216           217           218           219           220 
      1  -0.414536D+01 -0.572276D+00 -0.160215D+01 -0.316706D+01  0.901293D+00
      2   0.205999D+01 -0.232421D+01  0.121151D+01  0.101940D+01 -0.825021D+00
      3   0.208537D+01  0.289649D+01  0.390635D+00  0.214766D+01 -0.762717D-01
      4   0.188084D+01 -0.583221D+00 -0.937005D-01  0.123411D+01 -0.165773D+01
      5   0.649759D+00 -0.182657D+01  0.329625D+00  0.418491D+01 -0.655205D+00
      6   0.178176D+01  0.856317D+00  0.195471D+01  0.156192D+01  0.169981D+01
               221           222           223           224           225 
      1  -0.360910D+01 -0.149049D+00 -0.312480D+01 -0.516723D+01 -0.203468D+02
      2   0.145970D+01  0.428081D+01  0.266422D+01  0.530168D+00 -0.142704D+02
      3   0.214940D+01 -0.413176D+01  0.460576D+00  0.463706D+01  0.346171D+02
      4   0.336844D+01  0.132409D+00  0.440956D+01 -0.320502D+01  0.436449D+00
      5   0.367464D+00  0.197758D+01  0.427635D+01 -0.324190D+01 -0.135275D+02
      6   0.583297D+00  0.221705D+01 -0.963994D+00  0.825193D+01  0.191803D+02
               226           227           228           229           230 
      1   0.146487D+02  0.656505D+01  0.873061D+00  0.125149D+02  0.473565D+01
      2  -0.636112D+01 -0.301051D+01 -0.134632D+01 -0.729022D+01 -0.100474D+00
      3  -0.828754D+01 -0.355454D+01  0.473255D+00 -0.522466D+01 -0.463518D+01
      4   0.107154D+02  0.112173D+02  0.241721D+01  0.852367D+01  0.164936D+02
      5   0.438937D+01  0.298796D+01  0.384901D+01  0.873100D+01  0.277319D+01
      6   0.313015D+01  0.370243D+01  0.128544D+01  0.413837D+01  0.607939D+01
               231           232           233           234           235 
      1   0.264063D+01 -0.598125D+01 -0.962983D+00 -0.837215D+00 -0.277765D+01
      2  -0.417702D+01  0.282033D+01 -0.703503D+00 -0.106857D+01  0.649265D+00
      3   0.153639D+01  0.316092D+01  0.166649D+01  0.190579D+01  0.212839D+01
      4   0.167311D+01  0.219423D+01 -0.241375D+01  0.363076D+01  0.312236D+01
      5   0.595270D+01  0.463000D+00  0.291283D+01  0.816833D+00 -0.922997D+00
      6   0.191895D+01  0.116875D+01  0.834513D+00  0.161570D+01 -0.166391D+00
               236           237           238           239           240 
      1   0.324365D+00  0.340671D+01  0.108590D+00 -0.110555D+01  0.185002D+00
      2   0.328650D+00  0.152200D+01 -0.203807D+00 -0.190783D+01 -0.106697D+01
      3  -0.653015D+00 -0.492871D+01  0.952168D-01  0.301338D+01  0.881965D+00
      4   0.477208D+00  0.501743D+00  0.314785D+01  0.798872D-01  0.318800D+01
      5   0.564564D+00  0.957034D+00  0.638106D+00  0.281667D+01  0.735460D+00
      6   0.569581D+00  0.209404D+00  0.168757D+01  0.131519D+00  0.537783D+01
               241           242           243           244           245 
      1   0.262434D+01 -0.160638D+01 -0.163628D+02 -0.187544D+01 -0.165903D+01
      2  -0.663280D+01 -0.181366D+01 -0.193356D+02  0.289309D+00  0.321851D+01
      3   0.400846D+01  0.342004D+01  0.356984D+02  0.158614D+01 -0.155947D+01
      4  -0.169281D+01  0.470862D+01  0.321484D+01  0.776264D+01 -0.234065D+01
      5   0.916097D+01  0.204624D+01  0.231540D+02 -0.507722D+01  0.219605D+01
      6  -0.540549D+00  0.363246D+01 -0.182597D+01  0.123435D+02  0.145302D+01
               246           247           248           249           250 
      1  -0.481884D+01 -0.648104D+01  0.186582D+02  0.161693D+02 -0.693014D+01
      2   0.193547D+01  0.118727D+02 -0.252990D+02 -0.299153D+02  0.458137D+01
      3   0.288338D+01 -0.539168D+01  0.664073D+01  0.137460D+02  0.234878D+01
      4   0.122538D+02 -0.324960D+01  0.994841D+01  0.271848D+01  0.140508D+02
      5  -0.279093D+01  0.166248D+01  0.550713D+01  0.343712D+00 -0.383957D+01
      6   0.877992D+01  0.208430D+01 -0.298492D+02 -0.101347D+02  0.112522D+02
               251           252           253           254           255 
      1   0.208183D+02  0.367377D+01 -0.611734D+01  0.292892D+01  0.901453D+01
      2  -0.332875D+02 -0.783868D+01  0.880147D+01 -0.301641D+01 -0.170290D+01
      3   0.124692D+02  0.416491D+01 -0.268413D+01  0.874918D-01 -0.731162D+01
      4   0.517615D+01  0.112991D+02  0.730232D+01  0.106702D+01 -0.598220D+01
      5   0.292584D+01 -0.462773D+00  0.860283D+01  0.430641D+00 -0.252846D+01
      6  -0.129491D+02 -0.182168D+01 -0.594980D+01 -0.340130D+01 -0.445716D+01
               256           257           258           259           260 
      1   0.621549D+01 -0.188534D+02 -0.919550D+01  0.575790D+01 -0.461592D+01
      2  -0.992987D+01  0.201407D+02  0.164583D+02  0.134916D+01  0.733134D+01
      3   0.371438D+01 -0.128730D+01 -0.726282D+01 -0.710706D+01 -0.271542D+01
      4   0.475355D+00 -0.354889D+01 -0.171519D+01 -0.639299D+01 -0.161269D+01
      5   0.735325D+00 -0.645566D+01 -0.149644D+01 -0.126676D+01 -0.447234D+00
      6  -0.247630D+01  0.128148D+02  0.481791D+01 -0.383715D+01  0.243524D+01
               261           262           263           264           265 
      1   0.264459D+01  0.171040D+02 -0.289209D+01 -0.536814D+01 -0.513799D+00
      2   0.536465D+01 -0.150226D+02  0.611256D+01  0.786139D+01  0.232211D+01
      3  -0.800924D+01 -0.208141D+01 -0.322047D+01 -0.249325D+01 -0.180831D+01
      4  -0.283883D+01  0.153596D+02  0.683622D+01 -0.753040D+01  0.130300D+01
      5  -0.225841D+01 -0.174971D+02 -0.320985D+01  0.111960D+02  0.220390D+01
      6  -0.657746D+01 -0.722900D+01 -0.392295D+01  0.672163D+01 -0.296140D+00
               266           267           268           269           270 
      1   0.393726D+01 -0.529518D+00 -0.315040D+01 -0.491526D+00  0.122662D+01
      2  -0.261096D+01 -0.537842D+00  0.640913D+01  0.157334D+01 -0.719056D+01
      3  -0.132630D+01  0.106736D+01 -0.325873D+01 -0.108182D+01  0.596395D+01
      4   0.299031D+00  0.229680D+00 -0.291795D+01 -0.373011D+00  0.320672D+01
      5  -0.211803D+00 -0.127736D+01  0.794179D+01  0.259206D+00 -0.723680D+01
      6   0.128118D+01 -0.450467D-01  0.331652D+01  0.146297D+01 -0.507765D+01
               271           272           273           274           275 
      1   0.624006D-01  0.660175D+01 -0.746910D+01  0.177065D+01 -0.188999D+01
      2  -0.444518D+01 -0.659522D+01 -0.198270D+01 -0.180409D+01 -0.490306D+00
      3   0.438278D+01 -0.653117D-02  0.945180D+01  0.334393D-01  0.238030D+01
      4  -0.358626D+01 -0.670064D+00 -0.332386D+01  0.119357D+00 -0.189442D+01
      5   0.189066D+01  0.259716D+00  0.347795D+01 -0.407944D-01  0.202356D+01
      6  -0.227701D+01  0.567238D+01 -0.878996D+01  0.225235D+01 -0.262947D+01
               276           277           278           279           280 
      1   0.167377D+01 -0.222367D+01  0.677293D+01 -0.154057D+02  0.121809D+02
      2  -0.733115D+00 -0.105196D+01 -0.274612D+01 -0.123993D+02 -0.265352D+01
      3  -0.940652D+00  0.327563D+01 -0.402682D+01  0.278050D+02 -0.952740D+01
      4   0.124769D+01 -0.353537D+01 -0.106372D+01 -0.295900D+01  0.252473D+02
      5  -0.903776D+00  0.408696D+01  0.452792D+00 -0.151926D+01  0.735858D+01
      6   0.526378D+01 -0.128859D+01  0.816079D+01 -0.204653D+02  0.932496D+01
               281           282           283           284           285 
      1  -0.270631D+01  0.438347D+01 -0.333512D+01 -0.169125D+01 -0.693953D+00
      2   0.107085D+02 -0.142752D+01  0.728855D+01  0.578303D+01  0.773881D+00
      3  -0.800218D+01 -0.295595D+01 -0.395343D+01 -0.409178D+01 -0.799280D-01
      4   0.122677D+02  0.918917D+01  0.624628D+01  0.856862D+01  0.184513D+01
      5   0.157774D+01  0.637223D+01  0.649305D+00  0.169146D+01  0.800382D+00
      6   0.292020D+01  0.873815D+01  0.119588D+01  0.147462D+01  0.354092D+01
               286           287           288           289           290 
      1   0.505303D+01 -0.129366D+01  0.489888D+00 -0.310525D+01 -0.870806D+00
      2  -0.211200D+01  0.491731D+01  0.407402D+00  0.809588D+01  0.572320D+01
      3  -0.294103D+01 -0.362365D+01 -0.897290D+00 -0.499064D+01 -0.485240D+01
      4   0.157090D+02  0.653723D+01  0.101413D+02  0.807598D+01  0.152739D+02
      5   0.774779D+01  0.312609D+01  0.755068D+01 -0.144976D+01 -0.334939D+01
      6   0.105332D+02  0.795401D+01  0.132032D+02 -0.449515D+01 -0.425296D+01
               291           292           293           294           295 
      1   0.988332D+00 -0.470135D+01 -0.365824D+02  0.131199D+02  0.410914D+01
      2  -0.229135D+01  0.112693D+02  0.648515D+02 -0.205154D+02 -0.626624D+01
      3   0.130302D+01 -0.656790D+01 -0.282691D+02  0.739543D+01  0.215710D+01
      4  -0.484705D+01  0.126395D+02  0.196307D+02 -0.744936D+01 -0.594599D+01
      5   0.372079D+01 -0.197810D+01 -0.471817D+01  0.314102D+01  0.410115D+01
      6   0.361560D+01 -0.615965D+01 -0.294847D+02  0.183525D+02  0.744941D+01
               296           297           298           299           300 
      1   0.200900D+02 -0.129677D+02 -0.351416D+01  0.670666D+00  0.799608D+00
      2  -0.292631D+02  0.154140D+02  0.804652D+01 -0.446851D+01 -0.177223D+01
      3   0.917306D+01 -0.244628D+01 -0.453236D+01  0.379784D+01  0.972624D+00
      4  -0.108001D+02  0.810722D+01 -0.637565D+01  0.145372D+02  0.441164D+01
      5   0.510719D+01 -0.438219D+01 -0.103619D+01  0.304770D+01  0.344717D+01
      6   0.263400D+02 -0.210356D+02  0.412977D+01 -0.325726D+01 -0.294946D+01
               301           302           303           304           305 
      1   0.425469D+01 -0.384135D+02 -0.137541D+02  0.367984D+01 -0.211303D+02
      2  -0.977143D+01  0.671564D+02  0.212003D+02 -0.542914D+01  0.303961D+02
      3   0.551674D+01 -0.287429D+02 -0.744621D+01  0.174931D+01 -0.926579D+01
      4   0.114984D+02 -0.162400D+02 -0.612973D+01  0.507580D+01 -0.880531D+01
      5   0.159666D+01 -0.361342D+01 -0.247736D+01  0.358712D+01 -0.409493D+01
      6  -0.510618D+01  0.300699D+02  0.186122D+02 -0.643658D+01  0.268404D+02
               306           307           308           309           310 
      1  -0.136216D+02  0.102311D+02  0.318415D+01  0.358444D+01  0.330258D+01
      2   0.160736D+02 -0.123950D+01 -0.113983D+02 -0.632260D+00 -0.747083D+01
      3  -0.245195D+01 -0.899157D+01  0.821418D+01 -0.295218D+01  0.416826D+01
      4  -0.681682D+01 -0.250206D+02  0.123689D+02 -0.933023D+01  0.649033D+01
      5  -0.344175D+01  0.683939D+01 -0.168868D+01  0.594316D+01 -0.834160D+00
      6   0.211933D+02 -0.944250D+01  0.335246D+01 -0.884453D+01  0.157362D+01
               311           312           313           314           315 
      1  -0.276945D+01  0.686578D+00  0.372141D+01  0.167693D+01 -0.414935D+00
      2   0.740599D+01 -0.894586D+00 -0.945087D+00 -0.541535D+01  0.130743D+01
      3  -0.463654D+01  0.208007D+00 -0.277632D+01  0.373843D+01 -0.892492D+00
      4  -0.901115D+01  0.218353D+01 -0.156776D+02  0.693365D+01 -0.101065D+02
      5   0.171739D+01 -0.908591D+00  0.714234D+01 -0.309702D+01  0.695642D+01
      6  -0.173890D+01  0.396588D+01 -0.104957D+02  0.856358D+01 -0.135201D+02
               316           317           318           319           320 
      1   0.158158D+02  0.293726D+01 -0.464502D+01  0.841131D-01  0.372529D+01
      2  -0.139704D+02 -0.618592D+01  0.718813D+01 -0.191897D+01 -0.217611D+01
      3  -0.184538D+01  0.324865D+01 -0.254311D+01  0.183486D+01 -0.154918D+01
      4  -0.163798D+02  0.711242D+01  0.810613D+01  0.186619D+01 -0.968016D+00
      5  -0.170930D+02  0.379410D+01  0.109423D+02 -0.145840D+01 -0.335852D+00
      6   0.781110D+01 -0.446274D+01 -0.721911D+01 -0.598789D+00 -0.105321D+01
               321           322           323           324           325 
      1   0.757950D+00 -0.284802D+01  0.579700D+00  0.924179D+00 -0.102134D-01
      2   0.197355D+00  0.606105D+01 -0.180430D+01 -0.689329D+01 -0.437338D+01
      3  -0.955305D+00 -0.321303D+01  0.122460D+01  0.596911D+01  0.438359D+01
      4  -0.128478D+00  0.332040D+01 -0.609215D+00 -0.357628D+01  0.338760D+01
      5   0.786447D+00  0.778120D+01 -0.545594D+00 -0.701506D+01  0.199943D+01
      6   0.221097D+00 -0.360723D+01  0.164095D+01  0.540657D+01  0.254772D+01
               326           327           328           329           330 
      1  -0.671388D+01 -0.722814D+01 -0.182770D+01 -0.134059D+01 -0.123724D+01
      2   0.679734D+01 -0.226123D+01  0.195167D+01 -0.104191D+01  0.719822D+00
      3  -0.834638D-01  0.948937D+01 -0.123976D+00  0.238250D+01  0.517422D+00
      4  -0.145708D+00  0.361486D+01  0.212188D+00  0.194395D+01  0.119303D+01
      5   0.488386D-03  0.391414D+01  0.147926D+00  0.213433D+01  0.961346D+00
      6   0.567799D+01  0.885663D+01  0.225079D+01  0.218588D+01  0.482896D+01
               331           332           333 
      1  -0.221530D+01 -0.674326D+01 -0.151244D+02
      2  -0.124513D+01  0.286787D+01 -0.126570D+02
      3   0.346043D+01  0.387539D+01  0.277814D+02
      4   0.354641D+01 -0.791915D+00  0.308729D+01
      5   0.413167D+01 -0.265913D+00 -0.594064D+00
      6   0.147843D+01  0.810863D+01  0.205032D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.144143D-01      0.366374D-01      0.122209D+00
   x          0.658671D-03      0.167418D-02      0.558445D-02
   y          0.143809D-01      0.365526D-01      0.121926D+00
   z          0.725989D-03      0.184528D-02      0.615519D-02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139458D+03      0.206655D+02      0.229935D+02
   aniso      0.282557D+02      0.418706D+01      0.465873D+01
   xx         0.149422D+03      0.221421D+02      0.246364D+02
   yx        -0.441725D-02     -0.654570D-03     -0.728307D-03
   yy         0.148320D+03      0.219787D+02      0.244546D+02
   zx        -0.453560D-01     -0.672107D-02     -0.747820D-02
   zy        -0.468236D-04     -0.693854D-05     -0.772017D-05
   zz         0.120632D+03      0.178758D+02      0.198895D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.147869D+03      0.219119D+02      0.243802D+02
   aniso      0.309295D+02      0.458328D+01      0.509959D+01
   xx         0.158805D+03      0.235325D+02      0.261834D+02
   yx        -0.492782D-02     -0.730227D-03     -0.812487D-03
   yy         0.157539D+03      0.233448D+02      0.259746D+02
   zx        -0.461940D-01     -0.684525D-02     -0.761637D-02
   zy        -0.260618D-03     -0.386196D-04     -0.429701D-04
   zz         0.127262D+03      0.188583D+02      0.209826D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -4.63170140          1.56519360         -2.77330559
     6         -4.63491925         -1.28260134         -2.93006991
     7         -1.94868331         -2.20046724         -2.72415828
    45         -0.00033715          0.00025888          0.00223332
     7          2.06738136          1.91138398         -2.85031279
     6          4.75860935          0.98506499         -2.84288536
     6          4.74403713         -1.83123877         -2.39211776
     7          3.24147205         -2.35582258         -0.03335288
     7         -3.23342707          2.33310036         -0.41702454
     7          1.56310870          2.20941609          2.96034269
     6          1.18659769          0.86180546          5.43712811
     1          6.65944756         -2.56771819         -2.20264289
     1          3.84681089         -2.83895626         -3.94943791
     1          5.68506960          1.45299991         -4.62308593
     1          5.76803186          1.97940847         -1.34663991
     1         -5.48456994         -1.93423556         -4.69069712
     1         -5.71129724         -2.11756751         -1.38388476
     1         -6.55143104          2.31420944         -2.74583374
     1         -3.66379171          2.40780667         -4.38551415
     1         -4.42914598          2.17120471          1.08583249
     1         -2.84040798          4.21706091         -0.52205729
     1         -1.12845012         -2.09360158         -4.46469920
     1         -1.96699633         -4.08495861         -2.32070815
     1          1.32294939          1.62058459         -4.60378038
     1          2.07102177          3.82770644         -2.64543478
     1          4.36920616         -2.03755754          1.49673061
     1          2.84870975         -4.24138187          0.03829273
     6         -1.41829863         -0.30062832          5.44156318
     7         -1.69189832         -1.89654938          3.10276797
     1          3.42959843          2.64421984          2.76086658
     1          0.68108274          3.92080934          3.05632857
     1          2.64719557         -0.58231926          5.60950426
     1          1.42451777          2.17010910          7.01149378
     1         -1.72544698         -1.44075577          7.13056109
     1         -2.88217764          1.14983129          5.40223913
     1         -3.54901260         -2.35495197          2.87094007
     1         -0.81737675         -3.58656429          3.41140659

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.144143D-01      0.366374D-01      0.122209D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.144143D-01      0.366374D-01      0.122209D+00

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139458D+03      0.206655D+02      0.229935D+02
   aniso      0.282557D+02      0.418706D+01      0.465873D+01
   xx         0.149365D+03      0.221336D+02      0.246269D+02
   yx        -0.126523D+01     -0.187488D+00     -0.208609D+00
   yy         0.120758D+03      0.178945D+02      0.199103D+02
   zx         0.107439D+00      0.159209D-01      0.177144D-01
   zy         0.139152D+01      0.206201D+00      0.229430D+00
   zz         0.148251D+03      0.219686D+02      0.244433D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.147869D+03      0.219119D+02      0.243802D+02
   aniso      0.309295D+02      0.458328D+01      0.509959D+01
   xx         0.158741D+03      0.235230D+02      0.261729D+02
   yx        -0.138955D+01     -0.205910D+00     -0.229106D+00
   yy         0.127400D+03      0.188788D+02      0.210055D+02
   zx         0.120325D+00      0.178304D-01      0.198390D-01
   zy         0.152155D+01      0.225470D+00      0.250869D+00
   zz         0.157464D+03      0.233337D+02      0.259623D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-K07-12-02\Freq\RLC-PBEPBE\Gen\C6H24N6Rh1(3+)\PIERPA\19-Ju
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 ON A CLEAR DISK YOU CAN SEEK FOREVER.
 Job cpu time:       2 days 22 hours 53 minutes 58.6 seconds.
 Elapsed time:       0 days  8 hours 53 minutes 53.5 seconds.
 File lengths (MBytes):  RWF=    793 Int=      0 D2E=      0 Chk=     22 Scr=      2
 Normal termination of Gaussian 16 at Mon Jul 19 02:08:28 2021.
